SCHEMBL170953

SCHEMBL170953

CCCCCc1c[c]cc(CCCCC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.50
CYP3A4 P08684 2/20 0.50
GPR84 Q9NQS5 2/20 0.48
ESR1 P03372 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
TACR2 P21452 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SHBG P04278 1/20 0.43
TP53 P04637 1/20 0.43
HSPD1 P10809 1/20 0.43
ADRB3 P13945 1/20 0.43
HTR2C P28335 1/20 0.43
HSPE1 P61604 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL1188450 0.98 PTGS2 (0.52) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL1186069 0.98 PTGS2 (0.52) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL1188332 0.98 PTGS2 (0.52) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL1186650 0.98 PTGS2 (0.52) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL1187306 0.98 PTGS2 (0.52) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL1186516 0.98 PTGS2 (0.52) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL829394 0.98 PTGS2 (0.52) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL1187331 0.98 PTGS2 (0.52) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL1187072 0.98 PTGS2 (0.52) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL1187009 0.98 PTGS2 (0.52) PTGS2CYP3A4GPR84ESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901336-B2 Catalysts, methods of making catalysts, and methods of use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-12-02 US claimed
US-20130060056-A1 CATALYSTS, METHODS OF MAKING CATALYSTS, AND METHODS OF USE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-03-07 US claimed
US-7161018-B2 Soluble late transition metal catalysts for olefin oligomerizations II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-01-09 US claimed
EP-1513854-B1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS EXXONMOBIL CHEM PATENTS INC (US) 2006-11-29 EP claimed
US-20210074956-A1 ORGANIC ELECTROLUMINESCENT DEVICE GU'AN YEOLIGHT TECHNOLOGY CO., LTD. (CN) 2021-03-11 US disclosed
EP-2746271-B1 Phenyl-substituted 1, 3, 5-triazine compounds as intermediates for electroluminescent molecules TOSOH CORP (JP) 2016-08-17 EP disclosed
US-8901336-B2 Catalysts, methods of making catalysts, and methods of use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-12-02 US disclosed
EP-2746271-A1 Phenyl-substituted 1, 3, 5-triazine compounds as intermediates for electroluminescent molecules Tosoh Corporation (JP) 2014-06-25 EP disclosed
EP-2141158-B1 PHENYL-SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT TOSOH CORP (JP) 2014-05-07 EP disclosed
US-8569485-B2 Phenyl-substituted 1,3,5-triazine compound, process for producing the same, and organic electroluminescent device containing the same as component TOSOH CORPORATION (JP) 2013-10-29 US disclosed
US-8530687-B2 Catalysts, methods of making catalysts, and methods of use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-09-10 US disclosed
US-8481736-B2 Liquid crystalline rylene tetracarboxylic acid derivatives and use thereof BASF SE (DE) 2013-07-09 US disclosed
WO-2007116001-A2 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2007-10-18 WO disclosed
EP-1843407-A1 Liquid crystalline rylenetetracarboxylic acid derivatives and their use BASF AKTIENGESELLSCHAFT (DE) 2007-10-10 EP disclosed
US-7161018-B2 Soluble late transition metal catalysts for olefin oligomerizations II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-01-09 US disclosed
EP-1513854-B1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS EXXONMOBIL CHEM PATENTS INC (US) 2006-11-29 EP disclosed
US-6562485-B2 Electroluminescent (EL) devices XEROX CORPORATION 2003-05-13 US disclosed
US-20030044646-A1 Electroluminescent (EL) devices XEROX CORPORATION 2003-03-06 US disclosed
US-6479172-B2 PERFORMANCE, THERMOSTABILITY XEROX CORPORATION 2002-11-12 US disclosed
US-20020132134-A1 Electroluminescent (EL) devices XEROX CORPORATION 2002-09-19 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-20130060056-A1 CATALYSTS, METHODS OF MAKING CATALYSTS, AND METHODS OF USE SOD1, CAT, APEX1 PTGS2 2296/4885CYP3A4 2502/4885GPR84 4868/4885

“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.