SCHEMBL6438855

SCHEMBL6438855

COc1ccc(-n2c(-c3ccco3)nc3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.63
KDM4E B2RXH2 11/20 0.63
HSD17B10 Q99714 9/20 0.63
TSHR P16473 6/20 0.63
MAPT P10636 6/20 0.63
LMNA P02545 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
ALOX15 P16050 2/20 0.63
RPS6KB1 P23443 1/20 0.59
ROCK1 Q13464 1/20 0.59
HPGD P15428 8/20 0.57
TP53 P04637 4/20 0.53
GAA P10253 4/20 0.51
PSMD14 O00487 1/20 0.51
CASP1 P29466 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CASP7 P55210 1/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HIF1A Q16665 1/20 0.50

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
SCHEMBL10814931 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL6439901 0.83 ESR2 (0.63) ALDH1A1KDM4EHSD17B10TSHRMAPT
SCHEMBL6441530 0.81 RPS6KB1 (0.58) ALDH1A1KDM4EHSD17B10TSHRMAPT
SCHEMBL6439115 0.81 RPS6KB1 (0.58) ALDH1A1KDM4EHSD17B10TSHRMAPT
SCHEMBL6912346 0.81 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10TSHRMAPT
SCHEMBL6439028 0.80 ESR1 (0.67) ALDH1A1KDM4EHSD17B10TSHRMAPT
SCHEMBL30746859 0.80 ESR1 (0.67) ALDH1A1KDM4EHSD17B10TSHRMAPT
SCHEMBL6440399 0.79 RPS6KB1 (0.58) ALDH1A1KDM4EHSD17B10TSHRMAPT
SCHEMBL29737404 0.78 KDM4E (0.73) ALDH1A1KDM4EHSD17B10TSHRMAPT
SCHEMBL28943970 0.78 KDM4E (0.73) ALDH1A1KDM4EHSD17B10TSHRMAPT

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 ALDH1A1 581/4885KDM4E 966/4885HSD17B10 699/4885

“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.