SCHEMBL20120169

SCHEMBL20120169

Cc1cc(-c2ccccc2)ccc1NC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
TDP1 Q9NUW8 2/20 0.42
IDO1 P14902 1/20 0.41
PTPN1 P18031 1/20 0.39
LRRK2 Q5S007 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX12 P18054 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL21395986 0.86 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1PTPN1ALDH1A1
SCHEMBL31091223 0.80 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1PTPN1ALDH1A1
SCHEMBL29319729 0.80 ALDH1A1 (0.61) SLC1A3SLC1A2SLC1A1TDP1IDO1
SCHEMBL23791951 0.80 TDP1 (0.41) TDP1IDO1PTPN1LRRK2ALDH1A1
SCHEMBL12730348 0.80 HSD17B10 (0.47) SLC1A3SLC1A2SLC1A1TDP1IDO1
SCHEMBL18934066 0.79 HTR6 (0.49) SLC1A3SLC1A2SLC1A1TDP1PTPN1
SCHEMBL19422614 0.77 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1PTPN1ALDH1A1
SCHEMBL11696736 0.76 HDAC2 (0.57) ALDH1A1ALOX12GAAMAPTLMNA
SCHEMBL12303167 0.76 GAA (0.54) SLC1A3SLC1A2SLC1A1TDP1LRRK2
SCHEMBL21335456 0.76 GAA (0.54) SLC1A3SLC1A2SLC1A1TDP1LRRK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11950498-B2 Compound, material for organic electroluminescence element using same, organic electroluminescence element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2024-04-02 US disclosed
CN-110753686-B Novel compound, material for organic electroluminescent element using same, organic electroluminescent element, and electronic device 出光兴产株式会社 2023-06-06 CN disclosed
US-20210151687-A1 NOVEL COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2021-05-20 US disclosed
CN-110753686-A Novel compound, material for organic electroluminescent element using same, organic electroluminescent element, and electronic device 出光兴产株式会社 2020-02-04 CN disclosed
WO-2018081456-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-03 WO 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 (2 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-11950498-B2 Compound, material for organic electroluminescence element using same, organic electroluminescence element, and electronic device PIEZO1, LEF1, ETV6 SLC1A3 1172/4885SLC1A2 634/4885SLC1A1 1020/4885
US-20210151687-A1 NOVEL COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE PIEZO1, OR10J3, LEF1 SLC1A3 1127/4885SLC1A2 569/4885SLC1A1 1037/4885

“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.