SCHEMBL5046988

SCHEMBL5046988

CCCCC(CC)CC(=O)CC(CC)CCCC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
CA2 P00918 9/20 0.55
CYP3A4 P08684 4/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CA1 P00915 4/20 0.45
RECQL P46063 1/20 0.45
BCL2L1 Q07817 1/20 0.40

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
SCHEMBL11458719 0.91 ALDH1A1 (0.52) ALDH1A1CA2CYP3A4TSHRTDP1
SCHEMBL28683257 0.91 LMNA (0.52) ALDH1A1CA2CYP3A4TSHRTDP1
SCHEMBL28575196 0.90 CA2 (0.48) ALDH1A1CA2CYP3A4TSHRTDP1
SCHEMBL11475343 0.89 CA2 (0.55) ALDH1A1CA2CYP3A4TSHRTDP1
SCHEMBL11459440 0.89 CA2 (0.55) ALDH1A1CA2CYP3A4TSHRTDP1
SCHEMBL11475280 0.87 CA2 (0.53) ALDH1A1CA2CYP3A4TSHRTDP1
SCHEMBL15266210 0.87 CA2 (0.53) ALDH1A1CA2CYP3A4TSHRTDP1
SCHEMBL15671076 0.87 CA2 (0.48) ALDH1A1CA2CYP3A4TSHRTDP1
SCHEMBL11980515 0.86 CA2 (0.61) ALDH1A1CA2CYP3A4TSHRTDP1
SCHEMBL11477827 0.86 CA2 (0.52) ALDH1A1CA2CYP3A4TSHRTDP1

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
EP-2397475-B1 4, 4' disubstituted 4H-cyclopentadithiophene and new methods for synthesising the same IMEC (BE) 2014-11-12 EP disclosed
US-8329923-B2 4, 4′ disubstituted 4H-cyclopentadithiophene and new methods for synthesizing the same IMEC (BE) 2012-12-11 US disclosed
US-8329923-B2 4, 4′ disubstituted 4H-cyclopentadithiophene and new methods for synthesizing the same IMEC (BE) 2012-12-11 US disclosed
US-20110313175-A1 4, 4' DISUBSTITUTED 4H-CYCLOPENTADITHIOPHENE AND NEW METHODS FOR SYNTHESISING THE SAME UNIVERSITEIT HASSELT (BE) 2011-12-22 US disclosed
US-20110313175-A1 4, 4' DISUBSTITUTED 4H-CYCLOPENTADITHIOPHENE AND NEW METHODS FOR SYNTHESISING THE SAME UNIVERSITEIT HASSELT (BE) 2011-12-22 US disclosed
EP-2397475-A1 4, 4' disubstituted 4H-cyclopentadithiophene and new methods for synthesising the same IMEC (BE) 2011-12-21 EP disclosed
US-7365235-B2 Processes for producing branched compounds via condensation and hydrogenation COGNIS DEUTSCHLAND GMBH & CO. KG (DE) 2008-04-29 US disclosed
EP-1318972-B1 METHOD FOR PRODUCING BRANCHED ALCOHOLS AND/OR HYDROCARBONS COGNIS IP MAN GMBH (DE) 2006-11-02 EP disclosed
US-20030181769-A1 Method for producing branched alcohols and/or hydrocarbons COGNIS IP MANAGEMENT GMBH (DE) 2003-09-25 US disclosed
EP-1318972-A1 METHOD FOR PRODUCING BRANCHED ALCOHOLS AND/OR HYDROCARBONS Cognis Deutschland GmbH & Co. KG (DE) 2003-06-18 EP disclosed
WO-2002024621-A1 METHOD FOR PRODUCING BRANCHED ALCOHOLS AND/OR HYDROCARBONS COGNIS DEUTSCHLAND GMBH & CO. KG (DE) 2002-03-28 WO disclosed
US-4373008-A Ambient hydrocurable coating compositions ROHM AND HAAS COMPANY (US) 1983-02-08 US disclosed
US-4299867-A ACRYLIC POLYMER OF AN OXAZOLIDINE FUNCTIONAL MONOMER AND AN UNSATURATED ESTER ROHM AND HAAS COMPANY (US) 1981-11-10 US disclosed
EP-0034720-A2 Hydrocurable compositions comprising substituted oxazolidine or oxazine polymer and poly acryloxy compound, and their use in coatings, impregnants and adhesives ROHM AND HAAS COMPANY (US) 1981-09-02 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 (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-20110313175-A1 4, 4' DISUBSTITUTED 4H-CYCLOPENTADITHIOPHENE AND NEW METHODS FOR SYNTHESISING THE SAME DDT, NISCH, DBH ALDH1A1 2561/4885CA2 113/4885CYP3A4 1027/4885

“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.