SCHEMBL6441368

SCHEMBL6441368

COc1ccc(-n2c(-c3conc3C)nc3ccccc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.74
ESR2 Q92731 2/20 0.74
RPS6KB1 P23443 2/20 0.60
ROCK1 Q13464 1/20 0.60
ALDH1A1 P00352 9/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
RECQL P46063 1/20 0.44
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
KDM4E B2RXH2 4/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43

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
SCHEMBL6439844 0.86 ESR1 (0.56) ESR1ESR2RPS6KB1ROCK1ALDH1A1
SCHEMBL6440655 0.85 ESR2 (1.00) ESR1ESR2RPS6KB1ROCK1ALDH1A1
SCHEMBL6439895 0.84 ESR1 (0.54) ESR1ESR2RPS6KB1ROCK1ALDH1A1
SCHEMBL6439115 0.79 RPS6KB1 (0.58) ESR1ESR2RPS6KB1ROCK1ALDH1A1
SCHEMBL6912346 0.79 ALDH1A1 (0.67) ESR1ESR2RPS6KB1ROCK1ALDH1A1
SCHEMBL6439492 0.78 RPS6KB1 (0.57) ESR1ESR2RPS6KB1ROCK1ALDH1A1
SCHEMBL6439058 0.78 RPS6KB1 (0.57) ESR1ESR2RPS6KB1ROCK1ALDH1A1
SCHEMBL6438623 0.78 RPS6KB1 (0.60) ESR1ESR2RPS6KB1ROCK1ALDH1A1
SCHEMBL30746859 0.78 ESR1 (0.67) ESR1ESR2RPS6KB1ROCK1ALDH1A1
SCHEMBL6439028 0.78 ESR1 (0.67) ESR1ESR2RPS6KB1ROCK1ALDH1A1

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 3 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 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 ESR1 1/4885ESR2 3/4885RPS6KB1 3429/4885

“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.