SCHEMBL12430469

SCHEMBL12430469

O=C(CF)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
CTNNB1 P35222 7/20 0.57
WNT3A P56704 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 2/20 0.57
NAPRT Q6XQN6 1/20 0.57
P4HTM Q9NXG6 1/20 0.57
ALDH1A1 P00352 1/20 0.55
GRM4 Q14833 1/20 0.53
KMT2A Q03164 3/20 0.52
GSK3B P49841 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL29355245 0.83 CES2 (0.64) CES2CES1CTNNB1WNT3AL3MBTL1
SCHEMBL2470002 0.83 CTNNB1 (0.71) CES2CES1CTNNB1WNT3AL3MBTL1
SCHEMBL253276 0.83 CES2 (0.64) CES2CES1CTNNB1WNT3AL3MBTL1
SCHEMBL422632 0.81 CES2 (0.61) CES2CES1CTNNB1WNT3AL3MBTL1
SCHEMBL422631 0.81 CES2 (0.61) CES2CES1CTNNB1WNT3AL3MBTL1
SCHEMBL2639445 0.81 CES2 (0.61) CES2CES1CTNNB1WNT3AL3MBTL1
SCHEMBL156496 0.79 ALDH1A1 (0.61) CES2CES1CTNNB1WNT3AL3MBTL1
SCHEMBL5200046 0.79 CES2 (0.59) CES2CES1CTNNB1WNT3AL3MBTL1
SCHEMBL2544523 0.79 CES2 (0.59) CES2CES1CTNNB1WNT3AL3MBTL1
SCHEMBL13954321 0.79 CES2 (0.59) CES2CES1CTNNB1WNT3AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1741693-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS NAGOYA IND SCIENCE RES INST (JP) 2011-08-03 EP disclosed
US-20070225528-A1 Process for Producing Optically Active Alcohol NAGOYA INDUSTRIAL SCIENCE RESEARCH CENTER (JP) 2007-09-27 US disclosed
EP-1741693-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS Nagoya Industrial Science Research Institute (JP) 2007-01-10 EP 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-20070225528-A1 Process for Producing Optically Active Alcohol ADH1C, ADH1A, ADH5 CES2 373/4885CES1 680/4885CTNNB1 2508/4885

“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.