SCHEMBL12445155

SCHEMBL12445155

Cc1ccsc1-c1ccc(-c2ccc(-c3sccc3C)s2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.45
CYP3A4 P08684 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2B6 P20813 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2E1 P05181 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DPP4 P27487 3/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL19165108 1.00 CYP2A6 (0.45) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL498545 0.98 CYP2A6 (0.47) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL498678 0.88 DPP4 (0.51) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL92960 0.88 CYP2A6 (0.42) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL18027618 0.88 CYP2A6 (0.42) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL698354 0.88 DPP4 (0.51) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL92955 0.88 CYP2A6 (0.42) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL10820285 0.88 CYP2A6 (0.42) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL13082012 0.86 CYP2A6 (0.43) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6
SCHEMBL14002713 0.86 ESR2 (0.44) CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6

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-20190203138-A1 PHASE CHANGE MATERIALS FOR ENHANCED HEAT TRANSFER FLUID PERFORMANCE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2019-07-04 US disclosed
US-20190203139-A1 FRICTION AND WEAR REDUCTION USING LIQUID CRYSTAL BASE STOCKS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2019-07-04 US disclosed
US-9917260-B2 Compounds with terminal heteroarylcyanovinylene groups and their use in organic solar cells BASF SE (DE) 2018-03-13 US disclosed
EP-2626375-B1 Semiconductor materials prepared from dithienylvinylene copolymers BASF SE (DE) 2017-11-22 EP disclosed
US-9650461-B2 Semiconductor materials prepared from dithienylvinylene copolymers BASF SE (DE) 2017-05-16 US disclosed
US-20160248021-A1 COMPOUNDS WITH TERMINAL HETEROARYLCYANOVINYLENE GROUPS AND THEIR USE IN ORGANIC SOLAR CELLS BASF SE (DE) 2016-08-25 US disclosed
US-20160248018-A1 ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-25 US disclosed
US-8993697-B2 Conducting and semiconducting organic materials Commonwealth Scientific and Industrial Research Institute Organisation (AU) 2015-03-31 US disclosed
US-8993697-B2 Conducting and semiconducting organic materials Commonwealth Scientific and Industrial Research Institute Organisation (AU) 2015-03-31 US disclosed
US-20130289217-A1 CONDUCTING AND SEMICONDUCTING ORGANIC MATERIALS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2013-10-31 US disclosed
US-20130289217-A1 CONDUCTING AND SEMICONDUCTING ORGANIC MATERIALS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2013-10-31 US disclosed
US-8501889-B2 Conducting and semiconducting organic materials COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2013-08-06 US disclosed
US-8501889-B2 Conducting and semiconducting organic materials COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2013-08-06 US disclosed
US-20110166298-A1 CONDUCTING AND SEMICONDUCTING ORGANIC MATERIALS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL ORGANISATION (AU) 2011-07-07 US disclosed
US-20110166298-A1 CONDUCTING AND SEMICONDUCTING ORGANIC MATERIALS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL ORGANISATION (AU) 2011-07-07 US disclosed
US-7893190-B2 Alternating copolymers of phenylene vinylene and oligoarylene vinylene, preparation method thereof, and organic thin film transister comprising the same SAMSUNG ELECTRONICS CO., INC. (KR) 2011-02-22 US disclosed
US-7837903-B2 Polythiophenes and electronic devices comprising the same XEROX CORPORATION (US) 2010-11-23 US disclosed
US-20100140555-A1 POLYTHIOPHENES AND ELECTRONIC DEVICES COMPRISING THE SAME XEROX CORPORATION (US) 2010-06-10 US disclosed
WO-2009155657-A1 CONDUCTING AND SEMICONDUCTING ORGANIC MATERIALS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2009-12-30 WO disclosed
US-20090120495-A1 Alternating copolymers of phenylene vinylene and oligoarylene vinylene, preparation method thereof, and organic thin flim transister comprising the same SAMSUNG ELECTRONICS CO., LTD. 2009-05-14 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-20160248018-A1 ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND ARSA, SULT2A1, SULT1A1 CYP2A6 8/4885CYP3A4 324/4885CYP2C19 75/4885

“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.