SCHEMBL3276249

SCHEMBL3276249

COc1cc2cccc(Cn3c(C(=O)O)cc4ccccc43)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.55
MCL1 Q07820 4/20 0.50
SRD5A1 P18405 1/20 0.47
SRD5A2 P31213 1/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
PLA2G10 O15496 1/20 0.46
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BAD Q92934 1/20 0.42
DAO P14920 1/20 0.42

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
SCHEMBL27597968 0.87 CCR2 (0.62) CCR2MCL1ALDH1A1CYP1A2POLB
SCHEMBL3279820 0.85 CCR2 (0.54) CCR2MCL1ALDH1A1KDM4E
SCHEMBL3276548 0.85 CCR2 (0.54) CCR2MCL1ALDH1A1CYP1A2POLB
SCHEMBL3277800 0.81 CCR2 (0.61) CCR2MCL1ALDH1A1KDM4EHPGD
SCHEMBL3276271 0.81 CCR2 (0.58) CCR2MCL1ALDH1A1CYP1A2POLB
SCHEMBL3277165 0.79 CCR2 (0.52) CCR2MCL1ALDH1A1CYP1A2POLB
SCHEMBL3276117 0.79 CCR2 (0.58) CCR2MCL1ALDH1A1CYP1A2POLB
SCHEMBL3279620 0.79 CCR2 (0.70) CCR2PLA2G10
SCHEMBL3275772 0.79 CCR2 (0.67) CCR2MCL1
SCHEMBL3276758 0.78 CCR2 (0.58) CCR2MCL1ALDH1A1KDM4EBAD

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-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US claimed
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 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-20070142452-A1 Fused pyrrole derivatives CMA1, PREP, CPA3 CCR2 2308/4885MCL1 4845/4885SRD5A1 935/4885

“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.