SCHEMBL6911275

SCHEMBL6911275

O=C1CCC2CCCC=C12

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HIF1A Q16665 1/20 0.33
CCR2 P41597 1/20 0.33
PTPN1 P18031 2/20 0.32
ESR2 Q92731 1/20 0.32
PTPRC P08575 1/20 0.31
PTPRF P10586 1/20 0.31
CDC25B P30305 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
SCHEMBL900953 0.91 MAPT (0.70) MAPTMAOAMAOBHIF1ACCR2
SCHEMBL2569326 0.88 MAPT (0.51) MAPTMAOAMAOBHIF1APTPN1
SCHEMBL1237586 0.87 MAPT (0.70) MAPTMAOAMAOBHIF1ACCR2
SCHEMBL1235852 0.85 MAPT (0.68) MAPTMAOAMAOBHIF1ACCR2
SCHEMBL3397911 0.85 MAPT (0.62) MAPTMAOAMAOBHIF1ACCR2
SCHEMBL1021060 0.84 MAPT (0.56) MAPTMAOAMAOBHIF1ACCR2
SCHEMBL1238056 0.83 MAPT (0.55) MAPTMAOAMAOBHIF1ACCR2
SCHEMBL11181983 0.83 MAPT (0.65) MAPTMAOAMAOBHIF1ACCR2
SCHEMBL14763707 0.76 MAPT (0.57) MAPTHIF1ACCR2
SCHEMBL2205029 0.74 MAPT (0.64) MAPT

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 14 patents. 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 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
EP-2768307-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE Bikam Pharmaceuticals, Inc. (US) 2014-08-27 EP disclosed
US-20130289067-A1 COMPOUNDS AND METHODS FOR TREATING HIV PURDUE RESEARCH FOUNDATION 2013-10-31 US disclosed
WO-2013058809-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
WO-2012092168-A1 FUSED 6,5 BICYCLIC RING SYSTEM P2 LIGANDS, AND METHODS FOR TREATING HIV PURDUE RESEARCH FOUNDATION (US) 2012-07-05 WO disclosed
WO-2010016552-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME 武田薬品工業株式会社 (JP) 2010-02-11 WO disclosed
EP-1404690-A1 NOVEL MULTINUCLEAR HALF METALLOCENE CATALYST AND PREPARATION OF STYRENE POLYMER USING THE SAME LG Chem, Ltd. (KR) 2004-04-07 EP disclosed
WO-2003006473-A1 NOVEL MULTINUCLEAR HALF METALLOCENE CATALYST AND PREPARATION OF STYRENE POLYMER USING THE SAME LG CHEM, LTD. (KR) 2003-01-23 WO disclosed
US-5929087-A Decahydroquinoline-based anti-cholinergic agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1999-07-27 US disclosed
US-5137869-A Methyl substituted tetrahydroindanone and perfumery uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-08-11 US disclosed
US-5137869-A Methyl substituted tetrahydroindanone and perfumery uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-08-11 US disclosed
US-5137869-A Methyl substituted tetrahydroindanone and perfumery uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-08-11 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 (2 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-20150225414-A1 COMPOUNDS AND METHODS FOR TREATING HIV SERPINB1, HPN, DNPEP MAPT 1037/4885MAOA 512/4885MAOB 386/4885
US-20130289067-A1 COMPOUNDS AND METHODS FOR TREATING HIV SERPINB1, HPN, DNPEP MAPT 1037/4885MAOA 512/4885MAOB 386/4885

“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.