SCHEMBL362679

SCHEMBL362679

Cc1cc(F)ccc1C(CC(=O)O)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.43
NFE2L2 Q16236 4/20 0.43
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
FFAR1 O14842 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NQO1 P15559 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
CTSA P10619 4/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL362997 0.86 DPP4 (0.41) KEAP1NFE2L2FFAR1KMT2AGPBAR1
SCHEMBL363436 0.83 KMT2A (0.47) KEAP1NFE2L2FFAR1MEN1KMT2A
SCHEMBL363622 0.83 HPGD (0.40) KEAP1NFE2L2ALDH1A1MAPTMEN1
SCHEMBL1390233 0.81 GPBAR1 (0.40) KEAP1NFE2L2ALDH1A1MAPTFFAR1
SCHEMBL363953 0.80 GPBAR1 (0.46) ALDH1A1MAPTMEN1KMT2ANQO1
SCHEMBL1979497 0.80 FFAR1 (0.51) ALDH1A1FFAR1MEN1KMT2A
SCHEMBL1390346 0.80 GPBAR1 (0.56) MEN1KMT2AGPBAR1CTSA
SCHEMBL370930 0.79 EPHX2 (0.45) KMT2A
SCHEMBL371141 0.79 GPBAR1 (0.37) KEAP1NFE2L2ALDH1A1MAPTMEN1
SCHEMBL371142 0.78 MGAM (0.41) KEAP1NFE2L2MEN1KMT2ANQO1

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 5 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 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 KEAP1 1693/4885NFE2L2 488/4885ALDH1A1 132/4885

“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.