SCHEMBL2925324

SCHEMBL2925324

Cc1cc(C=O)c(O)c(Br)c1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 15/20 0.52
CYP1A2 P05177 2/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIM1 P11309 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL2921541 0.84 ERN1 (0.52) ERN1CYP1A2ALDH1A1TP53CYP3A4
SCHEMBL2474437 0.81 CYP1A2 (0.44) ERN1CYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL14031706 0.81 ERN1 (0.58) ERN1ALDH1A1CYP3A4PIM1TSHR
SCHEMBL11999811 0.78 ERN1 (0.60) ERN1ALDH1A1TSHR
SCHEMBL8436582 0.78 ERN1 (0.54) ERN1CYP1A2ALDH1A1TP53CYP3A4
SCHEMBL16229132 0.78 ERN1 (0.48) ERN1CYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL19760899 0.77 ALDH1A1 (0.38) ERN1CYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL8761629 0.77 ERN1 (0.52) ERN1ALDH1A1CYP3A4TSHR
SCHEMBL13623366 0.77 ERN1 (0.58) ERN1CYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL2925564 0.75 ERN1 (0.59) ERN1CYP1A2

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
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
CN-101896473-B Inhibitors of stearoyl-coa desaturase HOFFMANN LA ROCHE 2012-07-25 CN disclosed
CN-101896473-A Inhibitors of stearoyl-coa desaturase HOFFMANN LA ROCHE 2010-11-24 CN disclosed
EP-2231619-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 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-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 ERN1 2423/4885CYP1A2 604/4885ALDH1A1 503/4885

“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.