SCHEMBL1109042

SCHEMBL1109042

Ic1ccc(-c2ccc(N(c3ccc(-c4ccc(I)cc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ CYP1A2 P05177 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ TAAR1 Q96RJ0 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ BCL2L1 Q07817 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ CRHBP P24387 1/20 0.38

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
SCHEMBL15213532 1.00 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL20059601 0.98 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL12294537 0.98 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL1760257 0.95 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL12156930 0.95 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL23988522 0.87 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL4796747 0.87 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL4406615 0.87 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL23988625 0.87 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL414495 0.87 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8330350-B2 Organic electroluminescence device and material for organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-12-11 — — US disclosed
US-20120181518-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 — — US disclosed
US-8211552-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-07-03 — — US disclosed
US-20120139410-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 — — US disclosed
US-20120138912-A1 BISCARBAZOLE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. 2012-06-07 — — US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 — — US disclosed
US-20120126217-A1 FLUORENE-CONTAINING AROMATIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO. LTD. (JP) 2012-05-24 — — US disclosed
US-8154195-B2 Organic electroluminescence device and material for organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-04-10 — — US disclosed
US-20120007059-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2012-01-12 — — US disclosed
US-20110303907-A1 ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-12-15 — — 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
WO-2010047707-A1 ORGANIC LIGHT EMITTING DEVICE AND MATERIALS FOR USE IN SAME UNIVERSAL DISPLAY CORPORATION (US) 2010-04-29 — — WO disclosed
US-20090045731-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-02-19 — — 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-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-20090009065-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR 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-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 (10 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-20120139410-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, RIF1, ARL1 ALDH1A1 241/4885CYP1A2 3548/4885CYP3A4 4736/4885
US-20120007059-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND COMPOUND LEF1, EBPL, L1CAM ALDH1A1 1035/4885CYP1A2 1645/4885CYP3A4 2557/4885
US-20090009065-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, RFT1, RAE1 ALDH1A1 261/4885CYP1A2 687/4885CYP3A4 2132/4885
US-20090008607-A1 NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME CCNL2, ARL1, CCNA1 ALDH1A1 673/4885CYP1A2 453/4885CYP3A4 1443/4885
US-20120138912-A1 BISCARBAZOLE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME UQCRB, OXA1L, HBS1L ALDH1A1 380/4885CYP1A2 132/4885CYP3A4 55/4885
US-20110303907-A1 ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME L1CAM, EPCAM, LEF1 ALDH1A1 1636/4885CYP1A2 2927/4885CYP3A4 3807/4885
US-20120126217-A1 FLUORENE-CONTAINING AROMATIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME NR0B2, AFF2, AFF1 ALDH1A1 1481/4885CYP1A2 79/4885CYP3A4 361/4885
US-20100258791-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, LEF1, LIMK1 ALDH1A1 222/4885CYP1A2 1375/4885CYP3A4 2794/4885
US-20090045730-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, RFT1, RIF1 ALDH1A1 265/4885CYP1A2 1966/4885CYP3A4 3342/4885
US-20090039317-A1 NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME CCNL2, NAP1L1, ARL1 ALDH1A1 713/4885CYP1A2 1174/4885CYP3A4 1718/4885

“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.

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