SCHEMBL3531187

SCHEMBL3531187

CCC(C(=O)O)C1CCOC1=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL500156 0.78 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10
SCHEMBL13986495 0.77 FKBP1A (0.34)
SCHEMBL13986492 0.77 FKBP1A (0.34)
SCHEMBL26828342 0.76 CYP1A2 (0.34)
SCHEMBL13986498 0.74 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21005918 0.74 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13986494 0.74 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27330830 0.74 IDUA (0.39)
SCHEMBL7446497 0.73 CYP2D6 (0.42) CPN1CPB2
SCHEMBL29760506 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 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 (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-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 KDM4E 4644/4885ALDH1A1 2787/4885HPGD 473/4885

“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.