SCHEMBL542191

SCHEMBL542191

CC(C)(C)C1(c2ccccc2)NC(=O)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.53
CACNA1F O60840 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
HTR2A P28223 1/20 0.53
HRH1 P35367 1/20 0.53
SCN1A P35498 1/20 0.53
SCN4A P35499 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
CACNA1D Q01668 1/20 0.53
KCNH2 Q12809 1/20 0.53
CACNA1S Q13698 1/20 0.53
CACNA1C Q13936 1/20 0.53
SCN5A Q14524 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN3A Q9NY46 1/20 0.53
MMP2 P08253 3/20 0.48
MMP9 P14780 3/20 0.48
AKR1B1 P15121 1/20 0.45

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
SCHEMBL14101183 0.81 CYP2C9 (0.53) CYP2C9CACNA1FALDH1A1MAPTHTR2A
SCHEMBL20135463 0.74 B3GNT2 (0.36) CYP2C9CACNA1FALDH1A1MAPTHTR2A
SCHEMBL29688518 0.74 B3GNT2 (0.36) CYP2C9CACNA1FALDH1A1MAPTHTR2A
SCHEMBL20135726 0.73 P4HTM (0.38) ALDH1A1MAPTBLMPMP22AKR1B1
Phenytoin SCHEMBL1461588 0.72 CYP2C9 (0.96) CYP2C9CACNA1FALDH1A1MAPTHTR2A
SCHEMBL4384462 0.71 ALDH1A1 (0.59) CYP2C9CACNA1FALDH1A1MAPTHTR2A
SCHEMBL542865 0.71 ALDH1A1 (0.59) CYP2C9CACNA1FALDH1A1MAPTHTR2A
SCHEMBL4384456 0.71 ALDH1A1 (0.59) CYP2C9CACNA1FALDH1A1MAPTHTR2A
Phenytoin SCHEMBL5499612 0.70 CYP2C9 (1.00) CYP2C9CACNA1FALDH1A1MAPTHTR2A
Phenytoin SCHEMBL3440 0.70 CYP2C9 (1.00) CYP2C9CACNA1FALDH1A1MAPTHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 US disclosed
EP-2098515-B1 SUBSTITUTED CARBINOL COMPOUND KOWA CO (JP) 2012-02-08 EP disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 US disclosed
EP-2098515-A1 SUBSTITUTED CARBINOL COMPOUND Kowa Company. Ltd. (JP) 2009-09-09 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-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND NR1H2, NR1H3, CYP46A1 CYP2C9 2187/4885CACNA1F 2579/4885ALDH1A1 3263/4885

“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.