SCHEMBL13865472

SCHEMBL13865472

COc1cc(O)cc2nc(-c3ccccc3)oc12

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 19/20 0.82
ESR1 P03372 14/20 0.82
HDAC6 Q9UBN7 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL1379350 0.90 ESR2 (1.00) ESR2ESR1HDAC6
SCHEMBL2137383 0.79 DHODH (0.54) ESR2ESR1KDM4EALDH1A1HPGD
SCHEMBL5436427 0.78 ESR2 (0.80) ESR2ESR1HDAC6
SCHEMBL1375183 0.75 ESR2 (1.00) ESR2ESR1HDAC6
SCHEMBL13865475 0.74 ESR2 (0.82) ESR2ESR1HDAC6
SCHEMBL29138308 0.74 C1R (0.53) ESR2ESR1KDM4EALDH1A1HPGD
SCHEMBL13865474 0.74 ESR1 (0.70) ESR2ESR1KDM4EALDH1A1HPGD
SCHEMBL2140306 0.73 NPC1 (0.60) HDAC6KDM4EALDH1A1HPGD
SCHEMBL5417126 0.72 ESR1 (0.51) ESR2ESR1HDAC6KDM4EALDH1A1
SCHEMBL6987828 0.71 ESR2 (0.64) ESR2ESR1HDAC6

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-7531564-B2 Substituted benzoxazoles as estrogenic agents WYETH (US) 2009-05-12 US disclosed
US-7531564-B2 Substituted benzoxazoles as estrogenic agents WYETH (US) 2009-05-12 US disclosed
US-20080255057-A1 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS WYETH (US) 2008-10-16 US disclosed
US-20080255057-A1 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS WYETH (US) 2008-10-16 US disclosed
US-20070167503-A1 Substituted benzoxazoles as estrogenic agents WYETH (US) 2007-07-19 US disclosed
US-20070167503-A1 Substituted benzoxazoles as estrogenic agents WYETH (US) 2007-07-19 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 (2 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-20080255057-A1 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS ESR1, CYP19A1, ESR2 ESR2 3/4885ESR1 1/4885HDAC6 1696/4885
US-20070167503-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR2 2/4885ESR1 1/4885HDAC6 1892/4885

“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.