SCHEMBL5120133

SCHEMBL5120133

O=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)c(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 19/20 1.00
ESR1 P03372 18/20 1.00
ESRRA P11474 2/20 0.57

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
SCHEMBL5128716 0.85 ESR2 (1.00) ESR2ESR1
SCHEMBL5122053 0.84 ESR2 (1.00) ESR2ESR1
SCHEMBL5121904 0.84 ESR2 (1.00) ESR2ESR1
SCHEMBL14176457 0.84 ESR1 (1.00) ESR2ESR1ESRRA
SCHEMBL5121607 0.83 ESR2 (0.97) ESR2ESR1
SCHEMBL5121612 0.83 ESR2 (0.97) ESR2ESR1
SCHEMBL5120796 0.80 ESR2 (0.75) ESR2ESR1
SCHEMBL14176452 0.79 ESR2 (1.00) ESR2ESR1
SCHEMBL3058875 0.76 ESR1 (0.61) ESR2ESR1ESRRA
SCHEMBL5127458 0.73 ESR2 (1.00) ESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381730-B2 3-arylquinazoline derivatives as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed
US-7381730-B2 3-arylquinazoline derivatives as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed
US-7381730-B2 3-arylquinazoline derivatives as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed
US-20030220227-A1 3-Arylquinazoline derivatives as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY 2003-11-27 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 (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-20030220227-A1 3-Arylquinazoline derivatives as selective estrogen receptor beta modulators ESR2, ESRRA, ESRRG ESR2 1/4885ESR1 9/4885ESRRA 2/4885

“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.