SCHEMBL5118243

SCHEMBL5118243

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

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.76
ESR1 P03372 8/20 0.76
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DRD1 P21728 3/20 0.42
DRD5 P21918 3/20 0.42

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
SCHEMBL5128209 0.86 ESR2 (1.00) ESR2ESR1LMNAMAPK1ALDH1A1
SCHEMBL5129674 0.84 ESR2 (1.00) ESR2ESR1LMNAMAPK1ALDH1A1
SCHEMBL5117321 0.82 ESR2 (1.00) ESR2ESR1LMNAMAPK1ALDH1A1
SCHEMBL5112889 0.81 ESR2 (1.00) ESR2ESR1
SCHEMBL5124213 0.79 ESR2 (1.00) ESR2ESR1MAPK1
SCHEMBL14176451 0.79 ESR2 (0.74) ESR2ESR1
SCHEMBL14176454 0.77 ESR2 (0.71) ESR2ESR1
SCHEMBL5112589 0.77 ESR2 (1.00) ESR2ESR1
SCHEMBL1662878 0.73 ESR2 (0.84) ESR2ESR1
SCHEMBL5117316 0.67 ESR2 (0.59) 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 9/4885LMNA 3305/4885

“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.