SCHEMBL6802016

SCHEMBL6802016

Oc1ccc2c(c1)CC1(C2)Cc2ccc(O)cc2/C1=C/c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.48
MAOA P21397 9/20 0.48
MIF P14174 3/20 0.44
ESR1 P03372 4/20 0.40
ESR2 Q92731 4/20 0.40
CYP26A1 O43174 1/20 0.38
CES2 O00748 1/20 0.38

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
SCHEMBL6800031 1.00 MAOB (0.48) MAOBMAOAMIFESR1ESR2
SCHEMBL6797976 0.91 MAOB (0.46) MAOBMAOAMIFCYP26A1CES2
SCHEMBL6796287 0.91 MAOB (0.46) MAOBMAOAMIFCYP26A1CES2
SCHEMBL6799865 0.85 MAOB (0.47) MAOBMAOACES2
SCHEMBL6806457 0.85 MAOB (0.47) MAOBMAOACES2
SCHEMBL6802316 0.83 MIF (0.46) MAOBMAOAMIFESR1ESR2
SCHEMBL6802315 0.83 CES2 (0.53) MAOBMAOAMIFCYP26A1CES2
SCHEMBL6800928 0.83 CES2 (0.53) MAOBMAOAMIFCYP26A1CES2
SCHEMBL7070362 0.77 MAOB (0.45) MAOBMAOAMIFESR1ESR2
SCHEMBL6802318 0.72 ESR2 (0.41) MAOBMAOAESR1ESR2CES2

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 2 patents. 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 claimed
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 MAOB 1020/4885MAOA 953/4885MIF 881/4885

“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.