SCHEMBL9932706

SCHEMBL9932706

Fc1ccc(OCC(F)(F)F)nc1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.43
MAPT P10636 2/20 0.42
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
MAT2A P31153 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.36
SGK1 O00141 1/20 0.36
PTGES O14684 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 2/20 0.35
RECQL P46063 1/20 0.35
FFAR4 Q5NUL3 3/20 0.35
GABRA5 P31644 1/20 0.35
KDM4E B2RXH2 2/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CNR1 P21554 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL411488 0.73 KDM4E (0.37) MAPTKCNK3KCNK9L3MBTL1CYP1A2
SCHEMBL15350420 0.71 L3MBTL1 (0.48) MAPTL3MBTL1EPHX2FFAR4GABRA5
SCHEMBL2112541 0.70 CNR1 (0.39) MAPTSGK1ALDH1A1KDM4ECNR1
SCHEMBL21428642 0.69 MAT2A (0.48) MAPTMAT2AL3MBTL1EPHX2PTGES
SCHEMBL21428182 0.69 MAT2A (0.52) MAPTKCNK3KCNK9MAT2AL3MBTL1
SCHEMBL411487 0.69 KDM4E (0.44) L3MBTL1CYP1A2ALDH1A1KDM4ENPSR1
SCHEMBL3966140 0.68 NUDT1 (0.43) MAPTMAT2AL3MBTL1EPHX2ALDH1A1
SCHEMBL12204873 0.68 CYP19A1 (0.50) MAPTCYP1A2KDM4E
SCHEMBL1554479 0.67 HDAC1 (0.44) MAPTKCNK3KCNK9L3MBTL1ALDH1A1
SCHEMBL21078858 0.67 L3MBTL1 (0.47) MAPTKCNK3KCNK9L3MBTL1EPHX2

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-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
EP-2651895-A1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 EP 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

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 TRPV3 4339/4885MAPT 3768/4885KCNK3 2755/4885

“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.