SCHEMBL577640

SCHEMBL577640

Cc1ccc2ccccc2c1Sc1c(C)ccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.58
CYP1A2 P05177 6/20 0.58
TSHR P16473 5/20 0.58
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
USP2 O75604 1/20 0.47
PAK1 Q13153 1/20 0.47
HPRT1 P00492 1/20 0.44
HPGD P15428 3/20 0.44
HIF1A Q16665 2/20 0.42
CYP3A4 P08684 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
RAB9A P51151 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
CYP1B1 Q16678 1/20 0.41
LCK P06239 1/20 0.40

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
SCHEMBL31485344 0.86 CYP2A6 (0.58) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL15906500 0.84 CYP2A6 (0.56) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL11356184 0.83 CYP2A6 (0.54) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL27592231 0.81 CYP1A2 (0.52) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL26856897 0.79 CYP2A6 (0.50) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL11765384 0.79 ALDH1A1 (0.47) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL17205351 0.78 CYP1A2 (0.48) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL3367836 0.78 CYP1A2 (0.48) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL20812358 0.77 USP2 (0.79) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL8372938 0.74 CYP1A2 (0.47) CYP2A6CYP1A2TSHRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132156-B1 ALKYLAROMATIC LUBRICANT FLUIDS EXXONMOBIL RES & ENG CO (US) 2013-11-27 EP claimed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US claimed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US claimed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP claimed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO claimed
EP-3848399-B1 TRANSITION METAL COMPOUND AND METHOD FOR PRODUCING OLEFIN POLYMER IDEMITSU KOSAN CO (JP) 2024-07-10 EP disclosed
US-11795188-B2 Transition metal compound and method for producing olefin polymer IDEMITSU KOSAN CO., LTD. (JP) 2023-10-24 US disclosed
US-20230242705-A1 ESTER COMPOUND AND RESIN COMPOSITION AJINOMOTO CO., INC. (JP) 2023-08-03 US disclosed
US-20230235202-A1 PLASTICIZER FOR RESINS IDEMITSU KOSAN CO.,LTD. (JP) 2023-07-27 US disclosed
EP-3848399-A1 TRANSITION METAL COMPOUND AND METHOD FOR PRODUCING OLEFIN POLYMER Idemitsu Kosan Co., Ltd. (JP) 2021-07-14 EP disclosed
US-20210198300-A1 TRANSITION METAL COMPOUND AND METHOD FOR PRODUCING OLEFIN POLYMER IDEMITSU KOSAN CO.,LTD. (JP) 2021-07-01 US disclosed
EP-2915858-B1 ADHESIVE COMPOSITION AND ADHESIVE TAPE USING SAME IDEMITSU KOSAN CO (JP) 2020-12-02 EP disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
US-4044056-A Symmetrical aromatic sulfide production PHILLIPS PETROLEUM COMPANY (US) 1977-08-23 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 (5 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-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B CYP2A6 990/4885CYP1A2 900/4885TSHR 534/4885
US-20210198300-A1 TRANSITION METAL COMPOUND AND METHOD FOR PRODUCING OLEFIN POLYMER H1-0, C9, C5 CYP2A6 937/4885CYP1A2 1949/4885TSHR 606/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B CYP2A6 990/4885CYP1A2 900/4885TSHR 534/4885
US-20230242705-A1 ESTER COMPOUND AND RESIN COMPOSITION AFF4, AFF1, AFF2 CYP2A6 1136/4885CYP1A2 1146/4885TSHR 4043/4885
US-11795188-B2 Transition metal compound and method for producing olefin polymer H1-0, C9, C5 CYP2A6 937/4885CYP1A2 1949/4885TSHR 606/4885

“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.