SCHEMBL6439939

SCHEMBL6439939

Cc1ccoc1-c1nc2ccccc2n1-c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.60
ESR1 P03372 4/20 0.60
GRIA1 P42261 1/20 0.55
CACNG8 Q8WXS5 1/20 0.55
CACNG2 Q9Y698 1/20 0.55
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
RPS6KB1 P23443 3/20 0.40
ROCK1 Q13464 2/20 0.40
FGFR1 P11362 2/20 0.40
GSK3B P49841 2/20 0.40
PRKACA P17612 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.38
KDR P35968 1/20 0.38
PLK1 P53350 1/20 0.38
PTK2 Q05397 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL6441530 0.85 RPS6KB1 (0.58) HTTALDH1A1RPS6KB1ROCK1L3MBTL1
SCHEMBL6440381 0.82 ESR2 (0.64) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6439901 0.78 ESR2 (0.63) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6440249 0.77 ESR2 (0.91) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL9007262 0.77 ESR2 (0.91) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL13400666 0.76 ESR2 (0.88) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6440186 0.76 ESR2 (1.00) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6443542 0.75 ESR2 (0.70) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6440208 0.74 ESR2 (0.64) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL8021778 0.73 ESR2 (0.88) ESR2ESR1GRIA1CACNG8CACNG2

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
EP-1517897-A2 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ESTROGEN AGONISTS/ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP claimed
US-20040002524-A1 Benzimidazole compounds and their use as estrogen agonists/antagonists CHESWORTH RICHARD (US) 2004-01-01 US claimed
WO-2004000817-A2 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ESTROGEN AGONISTS/ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO claimed
EP-1517897-A2 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ESTROGEN AGONISTS/ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP disclosed
US-20040002524-A1 Benzimidazole compounds and their use as estrogen agonists/antagonists CHESWORTH RICHARD (US) 2004-01-01 US disclosed
WO-2004000817-A2 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ESTROGEN AGONISTS/ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO 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-20040002524-A1 Benzimidazole compounds and their use as estrogen agonists/antagonists ESR1, GPER1, ESR2 ESR2 3/4885ESR1 1/4885GRIA1 1481/4885

“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.