SCHEMBL6438682

SCHEMBL6438682

Cc1cc(-c2nc3ccccc3n2-c2ccc(O)cc2)c(C)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.62
ESR1 P03372 4/20 0.62
GRIA1 P42261 1/20 0.54
CACNG8 Q8WXS5 1/20 0.54
CACNG2 Q9Y698 1/20 0.54
RECQL P46063 1/20 0.46
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.40
RPS6KB1 P23443 2/20 0.40
ROCK1 Q13464 2/20 0.40
FGFR1 P11362 2/20 0.40
PRKACA P17612 1/20 0.40
GSK3B P49841 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL6439492 0.85 RPS6KB1 (0.57) ESR2ESR1HTTALDH1A1RAB9A
SCHEMBL6440381 0.81 ESR2 (0.64) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6439761 0.80 ESR2 (0.62) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6440655 0.77 ESR2 (1.00) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL9007262 0.76 ESR2 (0.91) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6440249 0.76 ESR2 (0.91) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6442199 0.76 ESR2 (1.00) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6439414 0.75 ESR2 (0.64) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6440186 0.75 ESR2 (1.00) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL13400666 0.75 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.