SCHEMBL6800928

SCHEMBL6800928

COc1ccc(/C=C2/c3cc(O)ccc3CC23Cc2ccc(O)cc2C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.53
MIF P14174 2/20 0.49
MAOB P27338 4/20 0.42
KIT P10721 1/20 0.42
CYP26A1 O43174 1/20 0.42
MAOA P21397 3/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A1 P04798 1/20 0.39
ALOX12 P18054 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP1B1 Q16678 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 2/20 0.36
MAPK1 P28482 2/20 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
SCHEMBL6802315 1.00 CES2 (0.53) CES2MIFMAOBKITCYP26A1
SCHEMBL6796287 0.88 MAOB (0.46) CES2MIFMAOBCYP26A1MAOA
SCHEMBL6797976 0.88 MAOB (0.46) CES2MIFMAOBCYP26A1MAOA
SCHEMBL6798576 0.86 MIF (0.54) CES2MIFMAOBKITCYP26A1
SCHEMBL6800031 0.83 MAOB (0.48) CES2MIFMAOBCYP26A1MAOA
SCHEMBL6802016 0.83 MAOB (0.48) CES2MIFMAOBCYP26A1MAOA
SCHEMBL6799216 0.82 ACHE (0.51) MAOB
SCHEMBL6806644 0.82 ACHE (0.51) MAOB
SCHEMBL6802385 0.82 ACHE (0.51) MAOB
SCHEMBL6806457 0.82 MAOB (0.47) CES2MAOBMAOAKDM4ELMNA

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 CES2 3694/4885MIF 881/4885MAOB 1020/4885

“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.