SCHEMBL5166597

SCHEMBL5166597

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nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 1.00
ESR2 Q92731 8/20 1.00
AR P10275 8/20 1.00
CYP19A1 P11511 8/20 0.65
SHBG P04278 2/20 0.57
SERPINA6 P08185 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
OR51E2 Q9H255 1/20 0.52
NR3C1 P04150 1/20 0.52
PGR P06401 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
SNCA P37840 1/20 0.52
CACNA1C Q13936 1/20 0.52
CYP51A1 Q16850 1/20 0.52
GPBAR1 Q8TDU6 1/20 0.52

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
SCHEMBL5166591 1.00 ESR1 (1.00) ESR1ESR2ARCYP19A1SHBG
SCHEMBL14430121 1.00 ESR1 (1.00) ESR1ESR2ARCYP19A1SHBG
SCHEMBL11517173 0.88 ESR1 (0.78) ESR1ESR2ARCYP19A1SHBG
SCHEMBL3362181 0.88 ESR1 (0.78) ESR1ESR2ARCYP19A1SHBG
SCHEMBL28502819 0.84 AR (0.73) ESR1ESR2ARCYP19A1SHBG
SCHEMBL5169496 0.83 ESR1 (0.71) ESR1ESR2ARCYP19A1
SCHEMBL9782693 0.83 SRD5A2 (0.74) ESR1ESR2ARCYP19A1SHBG
SCHEMBL14430123 0.83 ESR1 (0.71) ESR1ESR2ARCYP19A1
SCHEMBL9782697 0.83 SRD5A2 (0.74) ESR1ESR2ARCYP19A1SHBG
SCHEMBL9117868 0.83 SRD5A2 (0.74) ESR1ESR2ARCYP19A1SHBG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203102-A1 Estrogen Receptor Modulators MERCK & CO., INC. 2007-08-30 US disclosed
EP-1773862-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
WO-2006012333-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2006-02-02 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-20070203102-A1 Estrogen Receptor Modulators ESR2, GPER1, ESRRA ESR1 5/4885ESR2 1/4885AR 15/4885

“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.