SCHEMBL370421

SCHEMBL370421

Cc1ccc(C(CC(=O)O)c2ccc(Br)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
FFAR1 O14842 3/20 0.47
ACHE P22303 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP1A2 P05177 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNB1 Q02641 1/20 0.42
CACNA1C Q13936 1/20 0.42
CYP26A1 O43174 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL10908214 0.90 FFAR1 (0.54) ALDH1A1FFAR1ACHECYP2C19KMT2A
SCHEMBL15614683 0.86 CYP2C19 (0.59) ALDH1A1ACHECYP2C19CYP1A2MEN1
SCHEMBL18228832 0.85 HTR2A (0.57) ALDH1A1FFAR1MEN1KMT2AHTR2A
SCHEMBL29883209 0.85 CACNA2D1 (0.55) ALDH1A1FFAR1ACHECYP2C19MEN1
SCHEMBL9155517 0.85 CACNA2D1 (0.55) ALDH1A1FFAR1ACHECYP2C19MEN1
SCHEMBL10974823 0.81 FFAR1 (0.55) ALDH1A1FFAR1ACHECYP2C19CYP1A2
SCHEMBL1979497 0.81 FFAR1 (0.51) ALDH1A1FFAR1CYP2C19CYP1A2MEN1
SCHEMBL1979348 0.81 KMT2A (0.58) FFAR1CYP2C19CYP1A2MEN1KMT2A
SCHEMBL29157155 0.80 FFAR1 (0.46) FFAR1ACHECYP2C19MEN1KMT2A
SCHEMBL369941 0.79 KMT2A (0.49) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 132/4885FFAR1 14/4885ACHE 4816/4885

“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.