SCHEMBL6335754

SCHEMBL6335754

COc1nc(OC)c(C=O)c(OCC(F)(F)F)n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL6333897 0.90 MEN1 (0.40) CNR2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL6335241 0.90 MEN1 (0.35) CNR2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL6335530 0.87 MEN1 (0.31) MEN1CYP1A2CYP2C19KMT2A
SCHEMBL5318252 0.81 CNR2 (0.34) CNR2
SCHEMBL6335208 0.81 MEN1 (0.40) MEN1CYP1A2CYP2C19KMT2APTGS2
SCHEMBL6335694 0.81 ALDH1A1 (0.37) CYP1A2
SCHEMBL6336334 0.81 MEN1 (0.38) CNR2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL6344025 0.80 CCNA2 (0.43) MEN1KMT2A
SCHEMBL6334791 0.79 LRRK2 (0.31)
SCHEMBL6334299 0.78 EDNRA (0.32)

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-20050171350-A1 Benzhydryl derivatives FUJISAWA PHARAMACEUTICAL CO., LTD. (JP) 2005-08-04 US disclosed
EP-1456201-A1 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 EP disclosed
WO-2003053957-A1 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (US) 2003-07-03 WO 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-20050171350-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 CNR2 441/4885MEN1 550/4885CYP1A2 3008/4885

“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.