SCHEMBL2936899

SCHEMBL2936899

CC(=O)Oc1cccc(C2(Br)C=C(O[Si](C(C)C)(C(C)C)C(C)C)C=CC2C(C)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.34
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EPHX2 P34913 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
SCHEMBL2931682 0.77 CYP3A4 (0.30) CYP3A4
SCHEMBL5736563 0.70 LMNA (0.54) LMNACYP3A4ACHEALDH1A1KMT2A
SCHEMBL2936904 0.60 LMNA (0.40) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL249305 0.60 LMNA (0.76) LMNACYP3A4ACHEALDH1A1KMT2A
SCHEMBL17028900 0.60 LMNA (0.76) LMNACYP3A4ACHEALDH1A1KMT2A
SCHEMBL5743614 0.59 LMNA (0.63) LMNACYP3A4ACHEALDH1A1KMT2A
SCHEMBL26564348 0.58 LMNA (0.61) LMNACYP3A4ACHEALDH1A1KMT2A
SCHEMBL13259617 0.58 CYP3A4 (0.49) LMNACYP3A4CACNA1BAPBA1ACHE
SCHEMBL280618 0.58 LMNA (1.00) LMNACYP3A4ACHEALDH1A1KMT2A
SCHEMBL30638434 0.58 LMNA (1.00) LMNACYP3A4ACHEALDH1A1KMT2A

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 LMNA 873/4885CYP3A4 2328/4885CACNA1B 3129/4885

“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.