SCHEMBL2929561

SCHEMBL2929561

CC(C)[Si](Oc1cccc(C(Sc2cc(OCc3ccccc3)ccc2O)C(=O)c2ccc(O)cc2)c1)(C(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 1/20 0.40
EGFR P00533 4/20 0.40
MAOB P27338 3/20 0.39
PTGES O14684 1/20 0.39
F7 P08709 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
NR4A2 P43354 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A3 Q92570 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
SCHEMBL2933125 0.92 EGFR (0.42) KMT2AALOX5EGFRMAOBPTGES
SCHEMBL2929559 0.86 MRGPRX4 (0.41) SMN1; SMN2ALOX5EGFRMAOBPTGES
SCHEMBL2937006 0.77 PTGES (0.36) ALOX5EGFRMAOBPTGESMRGPRX4
SCHEMBL2101678 0.76 ALDH1A1 (0.41) KMT2ASMN1; SMN2LMNACYP1A2CYP2C19
SCHEMBL2937236 0.70 KDM4E (0.33)
SCHEMBL2931688 0.69 CYP3A4 (0.34) LMNA
SCHEMBL2102887 0.67 ADORA2A (0.36) KMT2ASMN1; SMN2MAOBLMNACYP1A2
SCHEMBL2931737 0.67 NPC1 (0.41) LMNA
SCHEMBL103047 0.66 MAOB (0.65) SMN1; SMN2EGFRMAOBNR4A2LMNA
SCHEMBL6816962 0.66 MAOB (0.69) SMN1; SMN2EGFRMAOBNR4A2LMNA

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 KMT2A 855/4885SMN1; SMN2 1266/4885ALOX5 2369/4885

“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.