SCHEMBL1104869

SCHEMBL1104869

CC(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc(C(C)C)cc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
PTPN5 P54829 2/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR1 P21554 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17986991 1.00 PTGS2 (0.47) PTGS2CYP1A2CYP3A4TDP1ALDH1A1
SCHEMBL16386569 1.00 PTGS2 (0.47) PTGS2CYP1A2CYP3A4TDP1ALDH1A1
SCHEMBL10029828 1.00 PTGS2 (0.47) PTGS2CYP1A2CYP3A4TDP1ALDH1A1
SCHEMBL18070181 1.00 PTGS2 (0.47) PTGS2CYP1A2CYP3A4TDP1ALDH1A1
SCHEMBL22648642 0.98 ALDH1A1 (0.48) PTGS2CYP1A2CYP3A4TDP1ALDH1A1
SCHEMBL17986990 0.98 ALDH1A1 (0.48) PTGS2CYP1A2CYP3A4TDP1ALDH1A1
SCHEMBL17987001 0.98 ALDH1A1 (0.48) PTGS2CYP1A2CYP3A4TDP1ALDH1A1
SCHEMBL13010631 0.96 ALDH1A1 (0.50) PTGS2CYP1A2CYP3A4TDP1ALDH1A1
SCHEMBL17358868 0.96 ALDH1A1 (0.50) PTGS2CYP1A2CYP3A4TDP1ALDH1A1
SCHEMBL20099084 0.96 ALDH1A1 (0.50) PTGS2CYP1A2CYP3A4TDP1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 124 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12022728-B2 Organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2024-06-25 US disclosed
US-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2023-07-04 US disclosed
US-11063223-B2 Organic electron transport material and organic electroluminescent element using same DYDEN CORPORATION (JP) 2021-07-13 US disclosed
US-11031561-B2 Organic electron transport material and organic electroluminescent element using same DYDEN CORPORATION (JP) 2021-06-08 US disclosed
US-20200168807-A1 ORGANIC ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME DYDEN CORPORATION (JP) 2020-05-28 US disclosed
US-20180226601-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ILLUMINATION DEVICE, DISPLAY DEVICE, AND MIXED MATERIAL IDEMITSU KOSAN CO., LTD. (JP) 2018-08-09 US disclosed
US-10043977-B2 Nitrogenated aromatic heterocyclic derivative, and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-08-07 US disclosed
US-RE46974-E1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2018-07-31 US disclosed
US-10032991-B2 Compound, organic electroluminescence element material, ink composition, organic electroluminescence element, electronic device, and method for producing compound IDEMITSU KOSAN CO., LTD. (JP) 2018-07-24 US disclosed
US-20180198076-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-07-12 US disclosed
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 US disclosed
US-20100258791-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-10-14 US disclosed
US-20100253211-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-10-07 US disclosed
US-20090045730-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-02-19 US disclosed
US-20090045731-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-02-19 US disclosed
US-20090039317-A1 NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-02-12 US disclosed
US-20090009066-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090008607-A1 NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090009065-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090009067-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090009065-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, RFT1, RAE1 PTGS2 3057/4885CYP1A2 687/4885CYP3A4 2132/4885
US-20090008607-A1 NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME CCNL2, ARL1, CCNA1 PTGS2 3773/4885CYP1A2 453/4885CYP3A4 1443/4885
US-11063223-B2 Organic electron transport material and organic electroluminescent element using same SLCO2A1, SLCO4C1, SLCO2B1 PTGS2 1857/4885CYP1A2 1662/4885CYP3A4 1882/4885
US-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes KCNQ2, KCNQ1, KCNQ4 PTGS2 1579/4885CYP1A2 1154/4885CYP3A4 357/4885
US-20180198076-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE LEF1, L1CAM, EMC1 PTGS2 4160/4885CYP1A2 692/4885CYP3A4 721/4885
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT LEF1, AR, NR0B1 PTGS2 2746/4885CYP1A2 721/4885CYP3A4 1021/4885
US-10043977-B2 Nitrogenated aromatic heterocyclic derivative, and organic electroluminescent element using same NES, NUTF2, ETV6 PTGS2 3679/4885CYP1A2 821/4885CYP3A4 261/4885
US-10032991-B2 Compound, organic electroluminescence element material, ink composition, organic electroluminescence element, electronic device, and method for producing compound LEF1, L1CAM, OLA1 PTGS2 3020/4885CYP1A2 397/4885CYP3A4 1983/4885
US-20100258791-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, LEF1, LIMK1 PTGS2 4341/4885CYP1A2 1375/4885CYP3A4 2794/4885
US-12022728-B2 Organic electroluminescent element and electronic device L1CAM, ESR1, LEF1 PTGS2 2687/4885CYP1A2 739/4885CYP3A4 1398/4885
US-20090045730-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, RFT1, RIF1 PTGS2 4476/4885CYP1A2 1966/4885CYP3A4 3342/4885
US-20090039317-A1 NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME CCNL2, NAP1L1, ARL1 PTGS2 4090/4885CYP1A2 1174/4885CYP3A4 1718/4885
US-20180226601-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ILLUMINATION DEVICE, DISPLAY DEVICE, AND MIXED MATERIAL TMEM109, L1CAM, CD99 PTGS2 4465/4885CYP1A2 500/4885CYP3A4 924/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.