SCHEMBL198776

SCHEMBL198776

CCCCC[CH]SCCCC

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
FAAH O00519 2/20 0.36
TRPV1 Q8NER1 2/20 0.36
THRB P10828 1/20 0.35
DNM1 Q05193 3/20 0.33
ALDH1A1 P00352 1/20 0.33
EP300 Q09472 1/20 0.32

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
SCHEMBL199308 0.97 TSHR (0.44) TSHRFAAHTRPV1THRBDNM1
SCHEMBL199316 0.97 TSHR (0.44) TSHRFAAHTRPV1THRBDNM1
SCHEMBL199219 0.97 TSHR (0.44) TSHRFAAHTRPV1THRBDNM1
SCHEMBL198801 0.97 TSHR (0.44) TSHRFAAHTRPV1THRBDNM1
SCHEMBL198595 0.97 TSHR (0.44) TSHRFAAHTRPV1THRBDNM1
SCHEMBL201898 0.97 TSHR (0.44) TSHRFAAHTRPV1THRBDNM1
SCHEMBL200095 0.97 TSHR (0.44) TSHRFAAHTRPV1THRBDNM1
SCHEMBL200105 0.97 TSHR (0.44) TSHRFAAHTRPV1THRBDNM1
SCHEMBL199886 0.97 TSHR (0.44) TSHRFAAHTRPV1THRBDNM1
SCHEMBL200627 0.97 TSHR (0.44) TSHRFAAHTRPV1THRBDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802713-B2 3-alkoxy-1-phenylpyrazole derivatives and pesticides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2014-08-12 US disclosed
US-8481736-B2 Liquid crystalline rylene tetracarboxylic acid derivatives and use thereof BASF SE (DE) 2013-07-09 US disclosed
EP-2202226-B1 3-ALKOXY-1-PHENYLPYRAZOLE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2013-06-05 EP disclosed
US-8088922-B2 Dibenzorylenetetracarboximides as infrared absorbers BASF AKTIENGESELLSCHAFT (DE) 2012-01-03 US disclosed
EP-2029573-B1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2011-10-26 EP disclosed
US-20110042651-A1 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2011-02-24 US disclosed
WO-2010111822-A1 OLIGOCONDENSED PERYLENE BISIMIDES BASF SE (DE) 2010-10-07 WO disclosed
WO-2010112452-A1 OLIGOCONDENSED PERYLENE BISIMIDES BASF SE (DE) 2010-10-07 WO disclosed
US-20100210704-A1 3-ALKOXY-1-PHENYLPYRAZOLE DERIVATIVES AND PESTICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-19 US disclosed
EP-2202226-A1 3-ALKOXY-1-PHENYLPYRAZOLE DERIVATIVE AND PEST CONTROL AGENT Kumiai Chemical Industry CO., LTD. (JP) 2010-06-30 EP disclosed
US-RE38970-E1 Indolyl or indolinyl derivatives and medicinal use thereof as ACAT or lipid peroxidation inhibitors KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2006-02-07 US disclosed
US-20040220215-A1 Novel heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2004-11-04 US disclosed
EP-1403253-A1 NOVEL HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-0866059-B1 NOVEL HETEROCYCLIC DERIVATIVES AND MEDICINAL USE THEREOF KYOTO PHARMA IND (JP) 2001-12-05 EP disclosed
US-6200988-B1 TETRAHYDROQUINOLINE DERIVATES; INHIBITORS OF ACYL COA:CHOLESTEROL ACYLTRANSFERASE AND LIPOPEROXIDATION; ARTERIOSCLEROSIS: CARDIOVASCULAR AND BRAIN DISORDERS KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-03-13 US disclosed
US-6063806-A CARBOXY ACID OR ESTER DERIVATIVES OF INDOLINE OR INDOLE KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-05-16 US disclosed
EP-0866059-A1 NOVEL HETEROCYCLIC DERIVATIVES AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 1998-09-23 EP disclosed
EP-0192242-B1 SUBSTITUTED AMINOPHENYLUREA DERIVATIVES TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1990-11-07 EP disclosed
US-4803223-A ANTITUMOR AGENTS TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1989-02-07 US disclosed
EP-0192242-A1 Substituted aminophenylurea derivatives TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1986-08-27 EP 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 (3 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-20100210704-A1 3-ALKOXY-1-PHENYLPYRAZOLE DERIVATIVES AND PESTICIDES HCN3, HCN4, KCNH3 TSHR 422/4885FAAH 1060/4885TRPV1 137/4885
US-20110042651-A1 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF TPR, ROR1, CA3 TSHR 1618/4885FAAH 3869/4885TRPV1 839/4885
US-20040220215-A1 Novel heterocyclic compound and medicinal use thereof GPR119, INSR, GLP1R TSHR 290/4885FAAH 1456/4885TRPV1 1209/4885

“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.