SCHEMBL12587742

SCHEMBL12587742

OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.68
CYP2D6 P10635 3/20 0.68
MAPK1 P28482 2/20 0.68
CYP2C19 P33261 2/20 0.68
KDM4E B2RXH2 1/20 0.68
NPC1 O15118 1/20 0.68
HPGD P15428 1/20 0.68
RAB9A P51151 1/20 0.68
HTR2C P28335 2/20 0.46
LTA4H P09960 1/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
PAX8 Q06710 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TACR1 P25103 3/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37

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
SCHEMBL1408642 0.86 CYP2D6 (0.68) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL9229833 0.86 CYP2D6 (0.68) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL1408641 0.86 CYP2D6 (0.68) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL5536844 0.86 CYP1A2 (0.58) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL3008034 0.86 CYP1A2 (0.58) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL3008035 0.86 CYP1A2 (0.58) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL10326845 0.83 CYP2D6 (0.68) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL9227056 0.83 MAPK1 (0.68) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL9230454 0.83 CYP2D6 (0.68) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL9230937 0.83 CYP2D6 (0.68) CYP1A2CYP2D6MAPK1CYP2C19KDM4E

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
US-7956182-B2 Process for preparing optically active alcohols KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2011-06-07 US disclosed
US-7956182-B2 Process for preparing optically active alcohols KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2011-06-07 US disclosed
US-20090062527-A1 Process for Preparing Optically Active Alcohols KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2009-03-05 US disclosed
US-20090062527-A1 Process for Preparing Optically Active Alcohols KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2009-03-05 US disclosed
EP-1988071-A1 METHOD OF PRODUCING OPTICALLY ACTIVE ALCOHOL Kotobuki Pharmaceutical Co., Ltd. (JP) 2008-11-05 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-20090062527-A1 Process for Preparing Optically Active Alcohols ADH1C, ADH1A, ADH5 CYP1A2 152/4885CYP2D6 957/4885MAPK1 1175/4885

“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.