SCHEMBL723960

SCHEMBL723960

Cc1ccsc1-c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2B6 P20813 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2E1 P05181 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NISCH Q9Y2I1 1/20 0.39
MGAM O43451 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
Benzene SCHEMBL28459864 0.98 CYP2A6 (0.43) CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1
SCHEMBL4586854 0.88 CYP2A6 (0.40) CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1
SCHEMBL9487879 0.87 CYP2A6 (0.40) CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1
Acetamide SCHEMBL7147627 0.87 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDL3MBTL1
SCHEMBL4585879 0.86 PTPRC (0.40) CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1
SCHEMBL498678 0.86 DPP4 (0.51) CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1
SCHEMBL698354 0.86 DPP4 (0.51) CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1
SCHEMBL723565 0.84 CYP2A6 (0.40) CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1
SCHEMBL7044210 0.79 CYP2A6 (0.40) CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1
SCHEMBL722595 0.77 CYP2A6 (0.56) CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016124694-A1 LIGHT ABSORBER Technische Universität Dresden (DE) 2016-08-11 WO claimed
US-8334391-B2 Functionalized heteroacenes XEROX CORPORATION (US) 2012-12-18 US claimed
US-20080171211-A1 Using electrically conductive polymer which during change in potential releases anions which inhibit the anodic or/and cathodic partial reaction of corrosion or/and releases adhesion-promoting anions CHEMETALL GMBH (DE) 2008-07-17 US claimed
US-7372071-B2 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORPORATION (US) 2008-05-13 US claimed
US-20070260069-A1 Functionalized heteroacenes XEROX CORPORATION 2007-11-08 US claimed
US-20070235721-A1 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORPORATION 2007-10-11 US claimed
US-5415893-A Dispersion of electrically conductive particles in a dispersing medium DSM N.V. (NL) 1995-05-16 US claimed
US-10074813-B2 Organic semiconductor composition and method for manufacturing organic semiconductor element FUJIFILM CORPORATION (JP) 2018-09-11 US disclosed
CN-105705610-B Compound with end heteroaryl cyano group ethenylidene and its application in organic solar batteries 巴斯夫欧洲公司 2018-01-30 CN disclosed
EP-3242339-A1 ORGANIC SEMICONDUCTOR COMPOSITION AND METHOD FOR MANUFACTURING ORGANIC SEMICONDUCTOR ELEMENT Fujifilm Corporation (JP) 2017-11-08 EP disclosed
US-20170317296-A1 ORGANIC SEMICONDUCTOR COMPOSITION AND METHOD FOR MANUFACTURING ORGANIC SEMICONDUCTOR ELEMENT FUJIFILM CORPORATION (JP) 2017-11-02 US disclosed
WO-2016124694-A1 LIGHT ABSORBER Technische Universität Dresden (DE) 2016-08-11 WO disclosed
CN-105705610-A Compounds with terminal heteroarylcyanovinylene groups and their use in organic solar cells 巴斯夫欧洲公司 2016-06-22 CN disclosed
EP-0342998-A2 Process for manufacturing an electrode for a solid electrolytic capacitor Sanyo Electric Co., Ltd (JP) 1989-11-23 EP disclosed
US-4795687-A POLYTHIENYLENE, POLYPRYRROLE OR POLYANILINE MATERIAL PREPARED BY OXIDATION POLYMERIZATION MITSUBISHI KASEI CORP. (JP) 1989-01-03 US disclosed
EP-0261837-A2 Electrically conductive material and a process for the preparation of same and secondary battery using the electrically conductive material Sanyo Electric Co., Ltd (JP) 1988-03-30 EP disclosed
US-4731311-A Electrically conductive material and secondary battery using the electrically conductive material SANYO ELECTRIC CO., LTD. (JP) 1988-03-15 US disclosed
EP-0236342-A1 AMINO ACID DERIVATIVES. NOVO INDUSTRI AS (DK) 1987-09-16 EP disclosed
EP-0219063-A2 Process of manufacturing an electrically conductive material and a secondary battery using the electrically conductive material Sanyo Electric Co., Ltd (JP) 1987-04-22 EP disclosed
WO-1987000171-A1 AMINO ACID DERIVATIVES NOVO INDUSTRI A/S (DK) 1987-01-15 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-20070260069-A1 Functionalized heteroacenes SOD1, AHR, NR0B2 CYP2A6 2722/4885CYP3A4 2012/4885CYP2B6 2153/4885
US-10074813-B2 Organic semiconductor composition and method for manufacturing organic semiconductor element OR10J3, NR0B1, NR1H3 CYP2A6 604/4885CYP3A4 136/4885CYP2B6 237/4885

“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.