SCHEMBL4526767

SCHEMBL4526767

Sc1cc2ccccc2cc1S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.47
ALOX12 P18054 1/20 0.47
NQO2 P16083 1/20 0.43
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 5/20 0.41
CYP1A2 P05177 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
HIF1A Q16665 3/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
ALOX15 P16050 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
SCHEMBL34467656 1.00 CYP2A6 (0.47) CYP2A6ALOX12NQO2ALDH1A1HSD17B10
SCHEMBL14316840 0.94 ALDH1A1 (0.48) CYP2A6ALOX12NQO2ALDH1A1HSD17B10
SCHEMBL29259296 0.82 TRPM4 (0.48) NQO2ALDH1A1HSD17B10CYP1A2TDP1
SCHEMBL15351380 0.80 CYP2A6 (0.44) CYP2A6ALOX12NQO2ALDH1A1HSD17B10
SCHEMBL2200135 0.80 IDO1 (0.45) CYP2A6ALOX12NQO2ALDH1A1HSD17B10
SCHEMBL15352180 0.80 CYP2A6 (0.44) CYP2A6ALOX12NQO2ALDH1A1HSD17B10
SCHEMBL31157823 0.80 IDO1 (0.45) CYP2A6ALOX12NQO2ALDH1A1HSD17B10
SCHEMBL15351876 0.80 CYP2A6 (0.44) CYP2A6ALOX12NQO2ALDH1A1HSD17B10
SCHEMBL1402689 0.80 CYP2A6 (0.44) CYP2A6ALOX12NQO2ALDH1A1CYP1A2
Anthracene SCHEMBL29352043 0.76 CYP2A6 (0.64) CYP2A6ALOX12NQO2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090101892-A1 Organic underlayers that improve the performance of organic semiconductors INTERNATIONAL BUSINESS MACHINES CORPORATION 2009-04-23 US claimed
US-7285440-B2 Organic underlayers that improve the performance of organic semiconductors INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-10-23 US claimed
US-20040161873-A1 Organic underlayers that improve the performance of organic semiconductors INTERNATIONAL BUSINESS MACHINES CORPORATION 2004-08-19 US claimed
EP-0672728-B1 Method for producing copper phthalocyanine KAWASAKI KASEI CHEMICALS (JP) 1999-11-10 EP claimed
US-5496939-A HEATING AND REACTING PHTHALIC ACID/OR DERIVATIVE/, UREA/OR DERIVATIVE/ AND COPPER COMPOUND, USING MOLYBDENUM CATALYST AND WITH ADDITION OF AROMATIC OR SATURATED ALIPHATIC DITHIOL OR PRECURSOR OR RUTHENIUM OR OSMIUM COMPOUND KAWASAKI KASEI CHEMICALS LTD. (JP) 1996-03-05 US claimed
EP-0672728-A1 Method for producing copper phthalocyanine KAWASAKI KASEI CHEMICALS LTD. (JP) 1995-09-20 EP claimed
US-12144245-B2 Compound for an organic electric element, an organic electric element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2024-11-12 US disclosed
US-20210320258-A1 COMPOUND FOR AN ORGANIC ELECTRIC ELEMENT, AN ORGANIC ELECTRIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2021-10-14 US disclosed
US-20210320258-A1 COMPOUND FOR AN ORGANIC ELECTRIC ELEMENT, AN ORGANIC ELECTRIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2021-10-14 US disclosed
WO-2020138732-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC APPARATUS USING SAME 덕산네오룩스 주식회사 2020-07-02 WO disclosed
WO-2020138732-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC APPARATUS USING SAME 덕산네오룩스 주식회사 2020-07-02 WO disclosed
WO-2016105072-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2016-06-30 WO disclosed
US-8614437-B2 Organic underlayers that improve the performance of organic semiconductors INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-12-24 US disclosed
US-20090101892-A1 Organic underlayers that improve the performance of organic semiconductors INTERNATIONAL BUSINESS MACHINES CORPORATION 2009-04-23 US disclosed
US-7285440-B2 Organic underlayers that improve the performance of organic semiconductors INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-10-23 US disclosed
US-20040161873-A1 Organic underlayers that improve the performance of organic semiconductors INTERNATIONAL BUSINESS MACHINES CORPORATION 2004-08-19 US disclosed
EP-0672728-B1 Method for producing copper phthalocyanine KAWASAKI KASEI CHEMICALS (JP) 1999-11-10 EP disclosed
US-5496939-A HEATING AND REACTING PHTHALIC ACID/OR DERIVATIVE/, UREA/OR DERIVATIVE/ AND COPPER COMPOUND, USING MOLYBDENUM CATALYST AND WITH ADDITION OF AROMATIC OR SATURATED ALIPHATIC DITHIOL OR PRECURSOR OR RUTHENIUM OR OSMIUM COMPOUND KAWASAKI KASEI CHEMICALS LTD. (JP) 1996-03-05 US disclosed
EP-0672728-A1 Method for producing copper phthalocyanine KAWASAKI KASEI CHEMICALS LTD. (JP) 1995-09-20 EP disclosed
US-4111873-A DITHIO COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1978-09-05 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 (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-12144245-B2 Compound for an organic electric element, an organic electric element using the same, and an electronic device thereof PIEZO1, OR10J3, OCIAD1 CYP2A6 2526/4885ALOX12 385/4885NQO2 3464/4885
US-20210320258-A1 COMPOUND FOR AN ORGANIC ELECTRIC ELEMENT, AN ORGANIC ELECTRIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF PIEZO1, OR10J3, OCIAD1 CYP2A6 2526/4885ALOX12 385/4885NQO2 3464/4885

“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.