SCHEMBL5453501

SCHEMBL5453501

CCC1CCC(C)C(=O)N1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
AR P10275 4/20 0.31
ALOX5 P09917 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
SCHEMBL20654098 0.88 CA1 (0.34) BRD4CREBBPDPP4DPP8DPP7
SCHEMBL1937119 0.80
SCHEMBL24535856 0.80
SCHEMBL14140112 0.77 BRD4 (0.33) BRD4CREBBPDPP4DPP8DPP7
SCHEMBL21698444 0.77 BRD4 (0.33) BRD4CREBBPDPP4DPP8DPP7
SCHEMBL2080419 0.77 BRD4 (0.33) BRD4CREBBPALOX5
SCHEMBL5188434 0.72 ALDH1A1 (0.32) BRD4CREBBP
SCHEMBL1717097 0.72 ITGB1 (0.37) BRD4CREBBPDPP4DPP8DPP7
SCHEMBL8963078 0.72
SCHEMBL30913158 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007095586-A2 NEURONAL PAIN PATHWAY MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-08-23 WO disclosed
US-20070129578-A1 Method for the production of 2,2'-dihydroxybiphenyls BASF AKTIENGESELLSCHAFT (DE) 2007-06-07 US disclosed
EP-1682473-A1 METHOD FOR THE PRODUCTION OF 2,2'-DIHYDROXYBIPHENYLS BASF Aktiengesellschaft (DE) 2006-07-26 EP disclosed
WO-2005042454-A1 METHOD FOR THE PRODUCTION OF 2,2'-DIHYDROXYBIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2005-05-12 WO disclosed
US-4058462-A System for sustained release of phenolic material from porous granules of insoluble polymeric phenolic complexes GAF CORPORATION (US) 1977-11-15 US disclosed
US-3985540-A Metal complexes of hydroxyquinoline and polymeric porous granules GAF CORPORATION (US) 1976-10-12 US disclosed
US-3970606-A N-vinyl lactam interpolymers useful as thickening agents GAF CORPORATION (US) 1976-07-20 US disclosed
US-3954682-A GRANULES OR BEADS GAF CORPORATION (US) 1976-05-04 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-20070129578-A1 Method for the production of 2,2'-dihydroxybiphenyls HAO2, DAO, DDO BRD4 1465/4885CREBBP 4450/4885DPP4 2181/4885

“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.