SCHEMBL2936902

SCHEMBL2936902

CC(=O)Oc1cc(C(Br)C(=O)c2ccccc2)ccc1O[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TSHR P16473 3/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 2/20 0.39
CYP3A4 P08684 1/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
TOP1 P11387 2/20 0.36
CFD P00746 2/20 0.35
ELANE P08246 2/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
HPGD P15428 2/20 0.34
ESR1 P03372 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
HMGB1 P09429 1/20 0.34
GGT1 P19440 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL2935373 0.84 LTB4R (0.35) ALDH1A1KDM4EGAACYP3A4MAPT
SCHEMBL2931686 0.76 CYP3A4 (0.33) ALDH1A1TSHRKDM4EGAARAB9A
SCHEMBL9867838 0.75 KDM4E (0.53) ALDH1A1TSHRKDM4EGAARAB9A
SCHEMBL2936904 0.74 LMNA (0.40) GAACYP3A4MAPTMAPK1ELANE
SCHEMBL11369147 0.74 NPC1 (0.49) ALDH1A1TSHRGAARAB9ACYP3A4
SCHEMBL2099208 0.72 CES2 (0.42) ALDH1A1KDM4ERAB9ACYP3A4MAPT
SCHEMBL9866552 0.69 TSHR (0.43) ALDH1A1TSHRKDM4EGAARAB9A
SCHEMBL7658156 0.69 TSHR (0.51) ALDH1A1TSHRKDM4EGAARAB9A
SCHEMBL10529004 0.69 TSHR (0.47) ALDH1A1TSHRKDM4EGAARAB9A
SCHEMBL11280280 0.68 SMN1; SMN2 (0.46) ALDH1A1KDM4EGAARAB9AHPGD

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 ALDH1A1 2303/4885TSHR 571/4885KDM4E 246/4885

“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.