SCHEMBL6344162

SCHEMBL6344162

COc1nc(OC(C)C)nc(OC)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A3 P47895 1/20 0.33
ERN1 O75460 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL6341505 0.89 CCNA2 (0.43) CCNA2CDK2CCNA1CYP1A2MAPT
SCHEMBL6826896 0.85 CCNA2 (0.45) CCNA2CDK2CCNA1CYP1A2MAPT
SCHEMBL6335444 0.82 CCNA2 (0.39) CCNA2CDK2CCNA1CYP1A2MAPT
SCHEMBL6335694 0.81 ALDH1A1 (0.37) CYP1A2MAPTERN1
SCHEMBL6403920 0.78 CCNA2 (0.37) CCNA2CDK2CCNA1
SCHEMBL6823841 0.78 CDK2 (0.40) CCNA2CDK2CCNA1CYP1A2MAPT
SCHEMBL6826015 0.78 CCNA2 (0.40) CCNA2CDK2CCNA1CYP1A2MAPT
SCHEMBL6335208 0.77 MEN1 (0.40) CCNA2CDK2CCNA1CYP1A2CYP2C19
SCHEMBL6828252 0.76 CCNA2 (0.40) CCNA2CDK2CCNA1CYP1A2MAPT
SCHEMBL6336281 0.76 CCNA2 (0.32) CCNA2CDK2CCNA1ERN1

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 CCNA2 2233/4885CDK2 2274/4885CCNA1 1534/4885

“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.