SCHEMBL2931049

SCHEMBL2931049

Cl[Mg]Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.58
CYP4F2 P78329 1/20 0.58
CYP4A11 Q02928 1/20 0.58
MAOB P27338 5/20 0.57
MAOA P21397 1/20 0.53
NR4A2 P43354 1/20 0.53
ALOX5 P09917 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LCK P06239 1/20 0.50
FFAR1 O14842 1/20 0.49

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
SCHEMBL2930458 0.82 LMNA (0.58) BCHEMAOBMAOANR4A2GAA
SCHEMBL15761340 0.81 BCHE (0.70) BCHECYP4F2CYP4A11MAOBMAOA
SCHEMBL1268719 0.81 MAOB (0.81) BCHECYP4F2CYP4A11MAOBMAOA
SCHEMBL30262573 0.80 BCHE (0.64) BCHECYP4F2CYP4A11MAOBMAOA
SCHEMBL1680838 0.80 BCHE (0.64) BCHECYP4F2CYP4A11MAOBMAOA
SCHEMBL5329319 0.80 MAOB (0.72) BCHECYP4F2CYP4A11MAOBMAOA
SCHEMBL5250953 0.78 KMT2A (0.47) KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL69020 0.77 CYP4F2 (0.70) BCHECYP4F2CYP4A11MAOBMAOA
SCHEMBL5246109 0.77 DHFR (0.48) KDM4EALDH1A1KMT2A
SCHEMBL5546051 0.77 BCHE (0.64) BCHECYP4F2CYP4A11MAOBMAOA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501819-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-09-15 EP disclosed
US-7138426-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2006-11-21 US disclosed
EP-1501819-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2006-06-21 EP disclosed
US-20050234245-A1 Estrogen receptor modulators MERCK SHARP & DOHME CORP. 2005-10-20 US disclosed
EP-1501819-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-02-02 EP disclosed
WO-2003091239-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-11-06 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-20050234245-A1 Estrogen receptor modulators ESRRB, ESR2, GPER1 BCHE 380/4885CYP4F2 3033/4885CYP4A11 844/4885

“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.