SCHEMBL8398786

SCHEMBL8398786

C=C1CC(CCCCCC)OC1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
PPARG P37231 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GRM2 Q14416 5/20 0.44
SIRT2 Q8IXJ6 4/20 0.44
POLB P06746 1/20 0.44
FASN P49327 1/20 0.44
EPHX1 P07099 1/20 0.43
PTPN1 P18031 1/20 0.41
CDC25B P30305 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
SCHEMBL4339845 1.00 CYP1A2 (0.51) CYP1A2PPARGALDH1A1GRM2SIRT2
SCHEMBL8394045 1.00 CYP1A2 (0.51) CYP1A2PPARGALDH1A1GRM2SIRT2
SCHEMBL18979113 1.00 CYP1A2 (0.51) CYP1A2PPARGALDH1A1GRM2SIRT2
SCHEMBL18981127 1.00 CYP1A2 (0.51) CYP1A2PPARGALDH1A1GRM2SIRT2
SCHEMBL7153568 0.98 CYP1A2 (0.49) CYP1A2PPARGALDH1A1GRM2SIRT2
SCHEMBL8394086 0.93 CYP1A2 (0.42) CYP1A2PPARGGRM2SIRT2POLB
SCHEMBL8396285 0.85 KAT2A (0.39) CYP1A2SIRT2POLBFASNPTPN1
SCHEMBL19729125 0.83 CYP1A2 (0.33) CYP1A2PPARGGRM2SIRT2POLB
SCHEMBL7024404 0.81 CYP1A2 (0.67) CYP1A2PPARGALDH1A1GRM2SIRT2
SCHEMBL20803560 0.81 CYP1A2 (0.67) CYP1A2PPARGALDH1A1GRM2SIRT2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359277-B2 Compositions and processes of preparing and using the same PURDUE RESEARCH FOUNDATION (US) 2016-06-07 US disclosed
US-9359277-B2 Compositions and processes of preparing and using the same PURDUE RESEARCH FOUNDATION (US) 2016-06-07 US disclosed
US-20140039182-A1 COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME PURDUE RESEARCH FOUNDATION 2014-02-06 US disclosed
US-20140039182-A1 COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME PURDUE RESEARCH FOUNDATION 2014-02-06 US disclosed
WO-2012129384-A2 COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME PURDUE RESEARCH FOUNDATION (US) 2012-09-27 WO disclosed
WO-2012129384-A2 COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME PURDUE RESEARCH FOUNDATION (US) 2012-09-27 WO disclosed
US-8093409-B2 Method for producing cyclic unsaturated compound NIPPON SHOKUBAI CO., LTD. (JP) 2012-01-10 US disclosed
US-20090299009-A1 METHOD FOR PRODUCING CYCLIC UNSATURATED COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2009-12-03 US disclosed
WO-2008023823-A1 METHOD FOR PRODUCING CYCLIC UNSATURATED COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2008-02-28 WO disclosed
EP-0722960-B1 Copolymers for preparing cast glass, or molding materials for preparing heat stable shaped articles AGOMER GES MIT BESCHRAENKTER H (DE) 1999-06-02 EP disclosed
US-5880235-A POLYMER PREPARED BY COPOLYMERIZING ALPHA-METHYLENE-GAMMA-BUTYROLACTONE AND VINYLICALLY UNSATURATED MONOMER AGOMER GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-09 US disclosed
EP-0722960-A2 Copolymers for preparing cast glass, or molding materials for preparing heat stable shaped articles Degussa Aktiengesellschaft (DE) 1996-07-24 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 (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-20140039182-A1 COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME DBF4, FAU, DHX29 CYP1A2 3750/4885PPARG 3135/4885ALDH1A1 2102/4885
US-20090299009-A1 METHOD FOR PRODUCING CYCLIC UNSATURATED COMPOUND FASN, SQLE, ALOX5 CYP1A2 191/4885PPARG 158/4885ALDH1A1 427/4885

“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.