SCHEMBL2931688

SCHEMBL2931688

CC(=O)Oc1cccc(C(Sc2c(O)ccc(O)c2F)C(=O)c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
ACHE P22303 9/20 0.34
BCHE P06276 6/20 0.32
FAAH O00519 1/20 0.32
LMNA P02545 1/20 0.32
BCL2 P10415 1/20 0.31
MCL1 Q07820 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 2/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL2937236 0.89 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL2937006 0.87 PTGES (0.36) ACHEBCHE
SCHEMBL2936904 0.76 LMNA (0.40) CYP3A4ACHEBCHEFAAHLMNA
SCHEMBL2937004 0.71 MRGPRX4 (0.35) MAPT
SCHEMBL2101678 0.70 ALDH1A1 (0.41) CYP3A4LMNAKDM4EALDH1A1MAPT
SCHEMBL2929561 0.69 KMT2A (0.40) LMNA
SCHEMBL5736563 0.69 LMNA (0.54) CYP3A4ACHELMNAALDH1A1MAPT
SCHEMBL2931682 0.65 CYP3A4 (0.30) CYP3A4
SCHEMBL2102887 0.65 ADORA2A (0.36) CYP3A4LMNABCL2MCL1ALDH1A1
SCHEMBL2935375 0.64 LMNA (0.36) CYP3A4LMNAKDM4EALDH1A1MAPT

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 CYP3A4 2328/4885ACHE 430/4885BCHE 380/4885

“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.