SCHEMBL5950477

SCHEMBL5950477

Cc1c(F)ccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
CYP2A6 P11509 4/20 0.60
CYP1A2 P05177 2/20 0.60
HSD17B10 Q99714 4/20 0.50
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPRT1 P00492 2/20 0.48
HIF1A Q16665 2/20 0.48
HPGD P15428 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
RAB9A P51151 1/20 0.48
CASP7 P55210 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1B1 Q16678 1/20 0.42
AR P10275 1/20 0.41
NCEH1 Q6PIU2 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL30070924 1.00 TSHR (0.60) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
Boric Acid SCHEMBL29263393 0.92 TSHR (0.52) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL29112083 0.89 HPRT1 (0.59) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL14134221 0.77 CYP1A2 (0.50) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL29930545 0.75 ALDH1A1 (0.55) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL29736830 0.75 CYP2A6 (1.00) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL28814927 0.75 CYP2A6 (1.00) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL30366237 0.75 ALDH1A1 (0.55) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL3836747 0.75 ALDH1A1 (0.55) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL49861 0.75 CYP2A6 (1.00) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7086050-A None JP disclosed
WO-2024143491-A1 COMPOUND EMITTING LIGHT UNDER SPECIFIC CONDITIONS, AND METHOD FOR DETECTING CANCER STEM CELLS USING SAME 国立大学法人京都大学 2024-07-04 WO disclosed
WO-2023205719-A1 KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-10-26 WO disclosed
WO-2022268066-A1 PROTEIN DEGRADATION AGENT 苏州开拓药业股份有限公司 2022-12-29 WO disclosed
US-11251376-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2022-02-15 US disclosed
US-11133473-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-09-28 US disclosed
US-10998503-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-05-04 US disclosed
WO-2021063346-A1 KRAS G12C INHIBITOR AND APPLICATION THEREOF 上海迪诺医药科技有限公司 2021-04-08 WO disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-3404017-B1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2020-05-13 EP disclosed
WO-2013162072-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
US-20130109669-A1 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO SA (CH) 2013-05-02 US disclosed
US-20060241132-A1 Spiro derivatives and adhesion molecule inhibitors comprising the same as active ingredient TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2006-10-26 US disclosed
EP-1489081-A1 SPIRO DERIVATIVES AND ADHESION MOLECULE INHIBITORS COMPRISING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2004-12-22 EP disclosed
US-5643925-A COGNITION ACTIVATORS AND NERVE GROWTH FACTORS SANKYO COMPANY, LIMITED (JP) 1997-07-01 US disclosed
US-5614521-A NERVE GROWTH FACTOR SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
EP-0501656-B1 New benzene derivatives having (NGF) production-promoting activity SANKYO CO (JP) 1997-01-22 EP disclosed
JP-H0786050-A GAS-INSULATED ELECTRICAL APPARATUS OSAKA GAS CO LTD 1995-03-31 JP disclosed
EP-0501656-A2 New benzene derivatives having (NGF) production-promoting activity Sankyo Company Limited (JP) 1992-09-02 EP disclosed
US-4443462-A Antipsychotic 4-(naphthalenyloxy)piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1984-04-17 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-11133473-B2 Condensed cyclic compound and organic light-emitting device including the same C1S, C1R, CCNA1 TSHR 3358/4885CYP2A6 1803/4885CYP1A2 985/4885
US-11251376-B2 Heterocyclic compound and organic light-emitting device including the same LAGE3, DDT, AOC2 TSHR 3994/4885CYP2A6 897/4885CYP1A2 30/4885
US-20130109669-A1 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS S1PR1, S1PR5, S1PR3 TSHR 251/4885CYP2A6 2083/4885CYP1A2 3836/4885
US-20060241132-A1 Spiro derivatives and adhesion molecule inhibitors comprising the same as active ingredient VCAM1, SELL, ICAM1 TSHR 4388/4885CYP2A6 1185/4885CYP1A2 2159/4885
US-10998503-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CRY2, LAGE3 TSHR 4744/4885CYP2A6 3586/4885CYP1A2 1841/4885

“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.