SCHEMBL186896

SCHEMBL186896

O=C(O)C(Cc1ccccc1)c1cccc(CBr)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
P4HTM Q9NXG6 1/20 0.49
CYP1A2 P05177 1/20 0.46
CPA1 P15085 3/20 0.44
CHRM1 P11229 4/20 0.43
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
CPN1 P15169 1/20 0.43
CPB2 Q96IY4 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
UBE2N P61088 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ITGB1 P05556 2/20 0.42
ITGA4 P13612 2/20 0.42
PPARG P37231 1/20 0.41

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
SCHEMBL11143478 0.84 EPHX1 (0.51) EPHX1P4HTMCYP1A2CPA1CHRM1
SCHEMBL2891180 0.84 AKR1C3 (0.47) PTGS1CPN1CPB2
SCHEMBL67234 0.82 EPHX1 (0.71) EPHX1P4HTMCYP1A2CPA1CHRM1
SCHEMBL3079795 0.82 EPHX1 (0.71) EPHX1P4HTMCYP1A2CPA1CHRM1
SCHEMBL599399 0.82 EPHX1 (0.71) EPHX1P4HTMCYP1A2CPA1CHRM1
SCHEMBL4719282 0.82 EPHX1 (0.53) EPHX1P4HTMCYP1A2CPA1ALPI
SCHEMBL4272232 0.81 SLC6A2 (0.58) EPHX1P4HTMCHRM1ALPIPKM
Hydrochloric Acid SCHEMBL933353 0.81 EPHX1 (0.69) EPHX1P4HTMCYP1A2CPA1CHRM1
SCHEMBL8869646 0.81 MEN1 (0.64) EPHX1P4HTMCYP1A2MEN1KMT2A
SCHEMBL11842694 0.80 EPHX1 (0.47) EPHX1P4HTMCYP1A2CPA1ALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507543-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-08-13 US disclosed
US-20130030031-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-8357716-B2 Pyrazole derivatives used as CCR4 receptor antagonists GLAXO GROUP LIMITED (GB) 2013-01-22 US disclosed
US-8304446-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-11-06 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
EP-2401270-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2012-01-04 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 (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-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists CCR4, CCR3, CCR1 EPHX1 1549/4885P4HTM 1826/4885CYP1A2 590/4885
US-20130030031-A1 Novel Compounds CYP3A4, CYP3A43, ABCG2 EPHX1 1864/4885P4HTM 2929/4885CYP1A2 17/4885

“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.