SCHEMBL5124213

SCHEMBL5124213

Cc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 12/20 1.00
ESR1 P03372 12/20 1.00
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.46
GRM1 Q13255 1/20 0.45
HDAC3 O15379 1/20 0.45
APP P05067 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL14176451 0.85 ESR2 (0.74) ESR2ESR1
SCHEMBL5128209 0.85 ESR2 (1.00) ESR2ESR1MAPK1
SCHEMBL5112589 0.83 ESR2 (1.00) ESR2ESR1
SCHEMBL14176454 0.83 ESR2 (0.71) ESR2ESR1
SCHEMBL5112889 0.82 ESR2 (1.00) ESR2ESR1
SCHEMBL5129674 0.80 ESR2 (1.00) ESR2ESR1MAPK1
SCHEMBL5118243 0.79 ESR2 (0.76) ESR2ESR1MAPK1
SCHEMBL5117321 0.78 ESR2 (1.00) ESR2ESR1MAPK1
SCHEMBL29110427 0.76 POLB (0.73) ESR2ESR1POLBHSD17B10MAPK1
SCHEMBL30089869 0.76 POLB (0.73) ESR2ESR1POLBHSD17B10MAPK1

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 9/4885POLB 2207/4885

“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.