SCHEMBL5120787

SCHEMBL5120787

COc1ccc(-n2cnc3cc(OC)cc(O)c3c2=O)cc1

nearest known ligand 0.90

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 19/20 0.90
ESR1 P03372 16/20 0.90
ESRRA P11474 1/20 0.50
HCAR1 Q9BXC0 1/20 0.50

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
SCHEMBL5127319 0.95 ESR2 (1.00) ESR2ESR1
SCHEMBL5121211 0.85 ESR2 (0.67) ESR2ESR1HCAR1
SCHEMBL14013176 0.85 ESR2 (0.67) ESR2ESR1HCAR1
SCHEMBL14013209 0.84 ESR2 (0.65) ESR2ESR1HCAR1
SCHEMBL14013197 0.84 ESR2 (0.65) ESR2ESR1HCAR1
SCHEMBL14013181 0.83 ESR2 (0.64) ESR2ESR1HCAR1
SCHEMBL14013194 0.83 ESR2 (0.69) ESR2ESR1HCAR1
SCHEMBL14013192 0.83 ESR2 (0.65) ESR2ESR1HCAR1
SCHEMBL14013202 0.82 ESR2 (0.62) ESR2ESR1ESRRAHCAR1
SCHEMBL5112791 0.81 ESR2 (0.65) ESR2ESR1HCAR1

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
US-7456188-B1 C-5 substituted quinazolinone derivatives as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456188-B1 C-5 substituted quinazolinone derivatives as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 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-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.