SCHEMBL9973785

SCHEMBL9973785

OCc1cc(Br)c(O)c(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NOTUM Q6P988 2/20 0.35
NQO2 P16083 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PDXK O00764 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ERN1 O75460 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
S1PR4 O95977 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL14354177 0.76 TDP1 (0.40) CYP3A4TSHRTDP1NQO2ALDH1A1
SCHEMBL411890 0.75 TTR (0.36) CYP3A4TDP1NOTUMALDH1A1HPGD
SCHEMBL21306836 0.75 SHBG (0.38) CYP3A4TSHRNOTUMALDH1A1HPGD
SCHEMBL31085043 0.75 KEAP1 (0.33) NOTUMALDH1A1HPGDHSD17B10PDXK
SCHEMBL4596056 0.72 NOTUM (0.44) CYP3A4TSHRTDP1NOTUMALDH1A1
SCHEMBL9973788 0.71 THRB (0.45) CYP3A4ALDH1A1HSD17B10KDM4ES1PR4
SCHEMBL5917844 0.71 PDXK (0.33) ALDH1A1HPGDHSD17B10PDXKKDM4E
SCHEMBL15972542 0.70 CCR1 (0.48) NOTUMKDM4ES1PR4CCR1KMT2A
SCHEMBL27238736 0.68 S1PR2 (0.34) NOTUMS1PR4CCR1RECQL
SCHEMBL9931561 0.68 RORC (0.33) ALDH1A1HSD17B10KDM4ES1PR4MEN1

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-2651895-B1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2015-07-01 EP disclosed
US-8669254-B2 Pyridine, pyridazine, pyrimidine or pyrazine carboxamides as HDL-cholesterol raising agents HOFFMAN-LA ROCHE INC. (US) 2014-03-11 US disclosed
US-8669254-B2 Pyridine, pyridazine, pyrimidine or pyrazine carboxamides as HDL-cholesterol raising agents HOFFMAN-LA ROCHE INC. (US) 2014-03-11 US disclosed
US-20120157476-A1 OXIME COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
WO-2012080144-A1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed
US-20120157476-A1 OXIME COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 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-20120157476-A1 OXIME COMPOUNDS APOB, APOL1, PON1 CYP3A4 113/4885TSHR 1090/4885TDP1 1015/4885

“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.