SCHEMBL2935375

SCHEMBL2935375

CC(C)[Si](Oc1ccc(C(=O)C(Br)c2cccc(O)c2)cc1)(C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SLC22A1 O15245 1/20 0.36
OPRM1 P35372 1/20 0.36
HIF1A Q16665 1/20 0.36
ADRB1 P08588 1/20 0.35
MIF P14174 1/20 0.35
HTR2A P28223 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
MLLT1 Q03111 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 3/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
RAB9A P51151 2/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL2099208 0.85 CES2 (0.42) LMNAKDM4EHIF1AALDH1A1CYP3A4
SCHEMBL2936904 0.84 LMNA (0.40) LMNACYP3A4HSD17B10MEN1MAPT
SCHEMBL2936991 0.84 CA12 (0.37) LMNAOPRM1ADRA1AALDH1A1CYP3A4
SCHEMBL6700604 0.80 MAPT (0.41) ALDH1A1MAPTKMT2ARAB9AHPGD
SCHEMBL6779593 0.79 ALDH1A1 (0.49) LMNAALDH1A1CYP1A2MEN1MAPT
SCHEMBL6695151 0.79 ALDH1A1 (0.36) LMNAALDH1A1CYP3A4CYP1A2HSD17B10
SCHEMBL6781754 0.78 ALDH1A1 (0.37) LMNAALDH1A1CYP1A2MAPTKMT2A
SCHEMBL2937146 0.78 FFAR1 (0.41) LMNAALDH1A1CYP1A2HSD17B10MEN1
SCHEMBL2099038 0.76 ALDH1A1 (0.42) LMNAALDH1A1CYP1A2MEN1MAPT
SCHEMBL2937236 0.75 KDM4E (0.33) KDM4EALDH1A1

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 11 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
US-6750213-B2 BONE DISORDERS; UROGENITAL SYSTEM DISORDERS; ANTICANCER AGENTS MERCK & CO., INC. 2004-06-15 US disclosed
US-20030225132-A1 Heterocyclic salts such as 3-(3-Hydroxyphenyl)-2-(4-(2-(1-pyrrolidinium)ethoxyphenol)-2,3-dihydro-1,4 -benzoxathiin-6-ol hydrochloride salt, used as estrane agonists, for phrophylaxis of bone disorders DININNO FRANK P (US) 2003-12-04 US disclosed
WO-2003091239-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-11-06 WO disclosed
WO-2003086388-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-23 WO disclosed
WO-2003087073-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-23 WO disclosed
US-20020165226-A1 Estrogen receptor modulators MERCK & CO., INC. 2002-11-07 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 (3 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-20020165226-A1 Estrogen receptor modulators ESRRA, GPER1, ESRRB LMNA 1353/4885KDM4E 901/4885SLC22A1 4183/4885
US-20050234245-A1 Estrogen receptor modulators ESRRB, ESR2, GPER1 LMNA 873/4885KDM4E 246/4885SLC22A1 3704/4885
US-20030225132-A1 Heterocyclic salts such as 3-(3-Hydroxyphenyl)-2-(4-(2-(1-pyrrolidinium)ethoxyphenol)-2,3-dihydro-1,4 -benzoxathiin-6-ol hydrochloride salt, used as estrane agonists, for phrophylaxis of bone disorders GPER1, ESR2, ESR1 LMNA 1145/4885KDM4E 3034/4885SLC22A1 1852/4885

“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.