SCHEMBL369676

SCHEMBL369676

Cc1ccccc1C(CC(=O)c1cc(Cl)ccc1Cl)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 3/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ERCC5 P28715 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ MGAM O43451 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ SI P14410 2/20 0.40
▸ MGAM2 Q2M2H8 2/20 0.40
▸ GPR139 Q6DWJ6 1/20 0.40
▸ CTSA P10619 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL364722 0.84 GPBAR1 (0.53) GPBAR1KMT2AGPR139CTSALMNA
SCHEMBL1389630 0.84 GPBAR1 (0.53) GPBAR1KMT2AGPR139CTSALMNA
SCHEMBL10240919 0.84 GPBAR1 (0.53) GPBAR1KMT2AGPR139CTSALMNA
SCHEMBL362878 0.84 GPBAR1 (0.53) GPBAR1KMT2AGPR139CTSALMNA
SCHEMBL10240928 0.84 GPBAR1 (0.53) GPBAR1KMT2AGPR139CTSALMNA
SCHEMBL1390097 0.82 GPBAR1 (0.42) GPBAR1KMT2AMGAMGAASI
SCHEMBL15949731 0.81 GPBAR1 (0.40) GPBAR1KMT2AMGAMGAASI
SCHEMBL1390023 0.80 GPBAR1 (0.43) GPBAR1KMT2AMGAMGAASI
SCHEMBL1390401 0.78 GPBAR1 (0.46) GPBAR1KMT2AMGAMGAASI
SCHEMBL1390264 0.78 GPBAR1 (0.42) GPBAR1KMT2AMGAMGAASI

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
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 — — EP claimed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 — — EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 — — US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 — — EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 — — 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885KMT2A 3981/4885ERCC5 3859/4885

“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.

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