SCHEMBL2810766

SCHEMBL2810766

Cc1c(CCl)cc(CCl)c(C)c1Br

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PON1 P27169 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
ALOX15 P16050 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL27953149 0.76 PON1 (0.32) PON1KMT2ANPSR1
SCHEMBL13584746 0.74 SHBG (0.35) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL29168488 0.73 GABRA1 (0.30)
SCHEMBL11836795 0.72 KMT2A (0.38) PON1ALDH1A1HIF1AKMT2ANPSR1
SCHEMBL3403920 0.69 KMT2A (0.33) ALDH1A1KMT2ANPSR1
SCHEMBL1336683 0.69 PGK1 (0.42) PON1ALDH1A1HIF1AHSD17B10KMT2A
SCHEMBL128934 0.69 PON1 (0.40) PON1
SCHEMBL10890673 0.68 PON1 (0.35) PON1ALDH1A1CYP1A2ALOX15CASP7
SCHEMBL15890143 0.67 TSHR (0.36) PON1ALDH1A1CYP1A2ALOX15CASP7
SCHEMBL3824444 0.67 KDM4E (0.43) PON1ALDH1A1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722656-B2 Cephalosporins useful as antibacterial agents ZOETIS LLC (US) 2014-05-13 US disclosed
EP-2705044-A1 NOVEL CEPHALOSPORINS USEFUL AS ANTIBACTERIAL AGENTS ZOETIS LLC (US) 2014-03-12 EP disclosed
WO-2012150520-A1 NOVEL CEPHALOSPORINS USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-11-08 WO disclosed
US-20120283237-A1 NOVEL CEPHALOSPORINS USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-11-08 US disclosed
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US disclosed
EP-2068855-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-06-17 EP disclosed
WO-2008151288-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-12-11 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 (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-20120283237-A1 NOVEL CEPHALOSPORINS USEFUL AS ANTIBACTERIAL AGENTS CIAPIN1, CLSPN, MRPL21 PON1 1426/4885ALDH1A1 3155/4885CYP1A2 593/4885
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS SLC40A1, PAH, FECH PON1 953/4885ALDH1A1 749/4885CYP1A2 40/4885

“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.