SCHEMBL2044237

SCHEMBL2044237

OC(c1ccc(F)c(F)c1F)(c1ccc(F)c(F)c1F)C1CCCN1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
PRPS1 P60891 2/20 0.32
EPHX2 P34913 3/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL15581684 0.80 CYP2C19 (0.49) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL15581686 0.74 KDM4E (0.57) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL7447521 0.74 KDM4E (0.56) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL7447515 0.74 KDM4E (0.56) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL9229833 0.72 CYP2D6 (0.68) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL1408641 0.72 CYP2D6 (0.68) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL1408642 0.72 CYP2D6 (0.68) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL10327031 0.70 CYP2D6 (0.59) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL6441061 0.70 CYP2D6 (0.59) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL10326303 0.70 CYP2D6 (0.59) KDM4ENPC1CYP1A2CYP2D6HPGD

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
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
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 KDM4E 201/4885NPC1 3609/4885CYP1A2 152/4885

“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.