SCHEMBL6335690

SCHEMBL6335690

CCOc1nc(O)c(C=O)c(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 1/20 0.34
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 3/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
AOX1 Q06278 1/20 0.31
MAT2A P31153 1/20 0.31
ERN1 O75460 1/20 0.31
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 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
SCHEMBL6333878 0.88 CCNA2 (0.39) TSHRCCNA2CDK2CCNA1MEN1
SCHEMBL6343010 0.85 CCNA2 (0.43) TSHRCCNA2CDK2CCNA1MEN1
SCHEMBL6336215 0.84 ALDH1A1 (0.36) CYP1A2ALDH1A1LMNAERN1
SCHEMBL6336334 0.82 MEN1 (0.38) TSHRMEN1KMT2ACYP1A2LMNA
SCHEMBL6342501 0.82 TSHR (0.31) TSHR
SCHEMBL6335444 0.78 CCNA2 (0.39) TSHRCCNA2CDK2CCNA1MEN1
SCHEMBL6344025 0.78 CCNA2 (0.43) TSHRCCNA2CDK2CCNA1MEN1
SCHEMBL6344018 0.77 MEN1 (0.41) TSHRCCNA2CDK2CCNA1MEN1
SCHEMBL6333403 0.76 CCNA2 (0.35) TSHRCCNA2CDK2CCNA1MEN1
SCHEMBL6335241 0.76 MEN1 (0.35) TSHRCCNA2CDK2CCNA1MEN1

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 TSHR 151/4885CCNA2 2233/4885CDK2 2274/4885

“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.