SCHEMBL4585002

SCHEMBL4585002

c1ccc2cc3cc4sccc4cc3cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.41
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HBB P68871 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 4/20 0.38
CA2 P00918 4/20 0.38
DYRK1A Q13627 1/20 0.37
PTPRC P08575 1/20 0.37
PTPN6 P29350 1/20 0.37
PTPN11 Q06124 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37
RPS6KB2 Q9UBS0 1/20 0.35

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
SCHEMBL1774665 1.00 CYP2A6 (0.41) CYP2A6CTNNB1WNT3AALDH1A1CYP3A4
SCHEMBL144203 0.98 CYP2A6 (0.42) CYP2A6CTNNB1WNT3AALDH1A1CYP3A4
SCHEMBL29733470 0.90 CYP2A6 (0.46) CYP2A6CTNNB1WNT3AALDH1A1CA12
SCHEMBL14041414 0.90 CYP2A6 (0.46) CYP2A6CTNNB1WNT3AALDH1A1CA12
SCHEMBL13572445 0.90 CYP2A6 (0.46) CYP2A6CTNNB1WNT3AALDH1A1CA12
SCHEMBL29733472 0.90 CYP2A6 (0.46) CYP2A6CTNNB1WNT3AALDH1A1CA12
SCHEMBL2344449 0.90 CYP2A6 (0.46) CYP2A6CTNNB1WNT3AALDH1A1CA12
SCHEMBL457633 0.90 CYP2A6 (0.46) CYP2A6CTNNB1WNT3AALDH1A1CA12
SCHEMBL2367900 0.90 CYP2A6 (0.46) CYP2A6CTNNB1WNT3AALDH1A1CA12
SCHEMBL24067981 0.88 CYP2A6 (0.34) CYP2A6CTNNB1WNT3AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080142793-A1 Organic Semiconductors UNITED STATES AIR FORCE 2008-06-19 US claimed
US-10937964-B2 Organic semiconductor material TOKYO INSTITUTE OF TECHNOLOGY (JP) 2021-03-02 US disclosed
US-10937964-B2 Organic semiconductor material TOKYO INSTITUTE OF TECHNOLOGY (JP) 2021-03-02 US disclosed
EP-3428987-B1 ORGANIC SEMICONDUCTOR MATERIAL TOKYO INST TECH (JP) 2020-02-26 EP disclosed
EP-3428987-A1 ORGANIC SEMICONDUCTOR MATERIAL Tokyo Institute of Technology (JP) 2019-01-16 EP disclosed
EP-3428987-A1 ORGANIC SEMICONDUCTOR MATERIAL Tokyo Institute of Technology (JP) 2019-01-16 EP disclosed
US-20180351106-A1 ORGANIC SEMICONDUCTOR MATERIAL TOKYO INSTITUTE OF TECHNOLOGY (JP) 2018-12-06 US disclosed
EP-2685514-B1 ORGANIC SEMICONDUCTOR MATERIAL TOKYO INST TECH (JP) 2018-10-03 EP disclosed
US-10056557-B2 Organic semiconductor material TOKYO INSTITUTE OF TECHNOLOGY (JP) 2018-08-21 US disclosed
US-20160049596-A1 ORGANIC THIN FILM, AND ORGANIC SEMICONDUCTOR DEVICE AND ORGANIC TRANSISTOR USING SAME DIC CORPORATION (JP) 2016-02-18 US disclosed
US-20160049596-A1 ORGANIC THIN FILM, AND ORGANIC SEMICONDUCTOR DEVICE AND ORGANIC TRANSISTOR USING SAME DIC CORPORATION (JP) 2016-02-18 US disclosed
US-20140081028-A1 ORGANIC SEMICONDUCTOR MATERIAL DIC CORPORATION 2014-03-20 US disclosed
US-20140081028-A1 ORGANIC SEMICONDUCTOR MATERIAL DIC CORPORATION 2014-03-20 US disclosed
US-20140081028-A1 ORGANIC SEMICONDUCTOR MATERIAL DIC CORPORATION 2014-03-20 US disclosed
EP-2685514-A1 ORGANIC SEMICONDUCTOR MATERIAL DIC Corporation (JP) 2014-01-15 EP disclosed
US-20080142793-A1 Organic Semiconductors UNITED STATES AIR FORCE 2008-06-19 US disclosed
US-20080142793-A1 Organic Semiconductors UNITED STATES AIR FORCE 2008-06-19 US disclosed
US-20080142793-A1 Organic Semiconductors UNITED STATES AIR FORCE 2008-06-19 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 (1 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-20080142793-A1 Organic Semiconductors ACE, ACE2, TTN CYP2A6 2037/4885CTNNB1 1207/4885WNT3A 1495/4885

“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.