SCHEMBL6801274

SCHEMBL6801274

COc1cccc2c1C(C)(OC)C1(Cc3ccccc3C1)C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CASP3 P42574 1/20 0.37
CASP6 P55212 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
OPRD1 P41143 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ACHE P22303 1/20 0.36
FGB P02675 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6806744 0.69 PPIB (0.37) L3MBTL1ALDH1A1MAPTKDM4EPOLB
SCHEMBL10624432 0.65 L3MBTL1 (0.55) L3MBTL1CA1CA2CA7CA9
SCHEMBL6806743 0.65 L3MBTL1 (0.40) L3MBTL1ALDH1A1MAPTPOLBPPARG
SCHEMBL14939932 0.63 L3MBTL1 (0.43) L3MBTL1CA1CA2CA7CA9
SCHEMBL29498104 0.62 L3MBTL1 (0.46) L3MBTL1ALDH1A1MAPTKDM4ECASP3
SCHEMBL1793005 0.62 L3MBTL1 (0.46) L3MBTL1ALDH1A1MAPTKDM4ECASP3
SCHEMBL897309 0.62 HTR5A (0.43) ALDH1A1MAPTKDM4EOPRD1MEN1
Hydrochloric Acid SCHEMBL6600350 0.61 L3MBTL1 (0.45) L3MBTL1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL10711750 0.61 CREBBP (0.53) L3MBTL1ALDH1A1MAPTGAAKDM4E
SCHEMBL20594366 0.61 KDM4E (0.68) L3MBTL1CA1CA2ALDH1A1MAPT

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-20040082642-A1 Novel estrogen receptor ligands and method III MERCK & CO., INC. 2004-04-29 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-20040082642-A1 Novel estrogen receptor ligands and method III ESRRA, ESRRB, FSHR L3MBTL1 3638/4885CA1 917/4885CA2 2206/4885

“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.