SCHEMBL2399712

SCHEMBL2399712

CC(C)(C)C(=O)[CH]Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
CNR1 P21554 1/20 0.46
MAPK14 Q16539 1/20 0.45
VNN1 O95497 1/20 0.44
CETP P11597 3/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.42
DAO P14920 1/20 0.42
AKR1C3 P42330 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
EPHX1 P07099 1/20 0.42
AMPD2 Q01433 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41

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
SCHEMBL1035570 0.79 CHRM2 (0.58) CHRM2CHRM1CHRM3CNR1MAPK14
SCHEMBL11546048 0.75 CHRM2 (0.51) CHRM2CHRM1CHRM3CNR1MAPK14
SCHEMBL28475012 0.74 VNN1 (0.56) CHRM2CHRM1CHRM3CNR1MAPK14
SCHEMBL5553734 0.74 CHRM2 (0.50) CHRM2CHRM1CHRM3CNR1MAPK14
SCHEMBL10871836 0.73 MAOB (0.43)
SCHEMBL178310 0.73 CHRM2 (0.55) CHRM2CHRM1CHRM3MAPK14CETP
SCHEMBL27772416 0.73 VNN1 (0.50) CHRM2CHRM1CHRM3CNR1MAPK14
SCHEMBL761677 0.73 MAPK14 (0.54) CHRM2CHRM1CHRM3CNR1MAPK14
SCHEMBL1295518 0.73 CHRM2 (0.44) CHRM2CHRM1CHRM3CNR1MAPK14
SCHEMBL1295520 0.73 CHRM2 (0.44) CHRM2CHRM1CHRM3CNR1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US 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-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 CHRM2 3204/4885CHRM1 3683/4885CHRM3 2023/4885

“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.