SCHEMBL1303891

SCHEMBL1303891

CC(=O)c1c(C(F)(F)F)nn(-c2ccc(C)c(C)c2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
ALDH1A1 P00352 5/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
GRIA2 P42262 3/20 0.43
CYP2C9 P11712 1/20 0.43
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
STAT1 P42224 1/20 0.39
LMNA P02545 3/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PAX8 Q06710 1/20 0.38

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
SCHEMBL1303442 0.82 CYP1A2 (0.56) CYP1A2CYP2C19ALDH1A1POLBCA1
SCHEMBL827126 0.77 CYP1A2 (0.48) CYP1A2CYP2C19ALDH1A1POLBCA1
SCHEMBL1303756 0.71 ATM (0.50) POLBCYP2C9MAPT
SCHEMBL1303722 0.70 POLB (0.55) POLBLMNASMN1; SMN2KMT2AMAPT
SCHEMBL10577265 0.70 MEN1 (0.51) CYP1A2ALDH1A1POLBGRIA2CYP2C9
SCHEMBL17290730 0.68 ALDH1A1 (0.46) CYP1A2CYP2C19ALDH1A1POLBCYP2C9
SCHEMBL23400138 0.67 ALDH1A1 (0.51) CYP1A2CYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL31672712 0.67 KMT2A (0.43) CYP1A2CYP2C19ALDH1A1POLBCYP2C9
SCHEMBL1303088 0.66 POLB (0.40) CYP1A2CYP2C19ALDH1A1POLBCYP2C9
SCHEMBL23401434 0.66 CYP1A2 (0.47) CYP1A2CYP2C19ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053453-B2 Pyrazolone compounds and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-11-08 US disclosed
US-20060069140-A1 Pyrazolone compounds and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-03-30 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-20060069140-A1 Pyrazolone compounds and thrombopoietin receptor activator MPL, PDGFRA, THPO CYP1A2 1016/4885CYP2C19 364/4885ALDH1A1 1338/4885

“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.