SCHEMBL1167597

SCHEMBL1167597

COC(C)c1c[c]ccc1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL8829979 0.81 EPHX1 (0.32) EPHX1
SCHEMBL18705907 0.79 LMNA (0.30)
SCHEMBL95729 0.78
SCHEMBL27424116 0.77
SCHEMBL27729555 0.76 HDAC4 (0.32)
SCHEMBL5755296 0.74
SCHEMBL9581136 0.74
SCHEMBL3611373 0.74
SCHEMBL3606073 0.74
SCHEMBL1071254 0.74 TAAR1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499558-B2 Compounds and methods for treating HIV PURDUE RESEARCH FOUNDATION (US) 2016-11-22 US claimed
US-20150225414-A1 COMPOUNDS AND METHODS FOR TREATING HIV NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-13 US claimed
US-9024038-B2 Compunds and methods for treating HIV PURDUE RESEARCH FOUNDATION (US) 2015-05-05 US claimed
US-20130289067-A1 COMPOUNDS AND METHODS FOR TREATING HIV PURDUE RESEARCH FOUNDATION 2013-10-31 US claimed
CN-104334525-B catechol O-methyltransferase activity inhibiting compounds 奥赖恩公司 2017-05-10 CN disclosed
US-9499558-B2 Compounds and methods for treating HIV PURDUE RESEARCH FOUNDATION (US) 2016-11-22 US disclosed
US-20150225414-A1 COMPOUNDS AND METHODS FOR TREATING HIV NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-13 US disclosed
US-9024038-B2 Compunds and methods for treating HIV PURDUE RESEARCH FOUNDATION (US) 2015-05-05 US disclosed
CN-104334525-A Catechol o-methyltransferase activity inhibiting compounds ORION CORP 2015-02-04 CN disclosed
CN-103596925-A Benzocycloheptene acetic acids HOFFMANN LA ROCHE 2014-02-19 CN disclosed
US-20130289067-A1 COMPOUNDS AND METHODS FOR TREATING HIV PURDUE RESEARCH FOUNDATION 2013-10-31 US disclosed
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US disclosed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP disclosed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US disclosed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US disclosed
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP disclosed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX EPHX1 843/4885THRB 4006/4885
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 EPHX1 1714/4885THRB 3773/4885
US-20150225414-A1 COMPOUNDS AND METHODS FOR TREATING HIV SERPINB1, HPN, DNPEP EPHX1 943/4885THRB 4529/4885
US-20130289067-A1 COMPOUNDS AND METHODS FOR TREATING HIV SERPINB1, HPN, DNPEP EPHX1 943/4885THRB 4529/4885
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ADORA1, ADORA3, TBXA2R EPHX1 707/4885THRB 201/4885

“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.