SCHEMBL4941932

SCHEMBL4941932

COc1cc2c(cc1N)OC(C)(C)[C@@](O)(CCc1ccccc1)[C]2C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
RCE1 Q9Y256 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALOX5 P09917 2/20 0.31

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
SCHEMBL4941253 0.80 ALDH1A1 (0.37) GAAL3MBTL1ALDH1A1
SCHEMBL3601953 0.62 ABCB1 (0.43) L3MBTL1KDM4EALDH1A1ALOX5
SCHEMBL27205449 0.60 GAA (0.65) GAAKDM4E
SCHEMBL8948353 0.57 ALDH1A1 (0.39) GAAL3MBTL1ALDH1A1
SCHEMBL5652687 0.57 ALDH1A1 (0.48) GAAL3MBTL1ALDH1A1
SCHEMBL5645967 0.56 GAA (0.49) GAAALDH1A1
SCHEMBL8061320 0.56 ALDH1A1 (0.49) GAAALDH1A1
SCHEMBL22051105 0.56 ALDH1A1 (0.48) GAAALDH1A1
SCHEMBL27570229 0.56 KMT2A (0.56) L3MBTL1ALDH1A1ALOX5
SCHEMBL23092598 0.56 ALDH1A1 (0.49) L3MBTL1KDM4EALDH1A1

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-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 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-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A GAA 4740/4885L3MBTL1 1399/4885KDM4E 3021/4885

“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.