SCHEMBL6912346

SCHEMBL6912346

COc1ccc(-c2nc3ccccc3n2-c2ccc(OC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.67
RPS6KB1 P23443 1/20 0.63
ROCK1 Q13464 1/20 0.63
NPSR1 Q6W5P4 4/20 0.62
RAB9A P51151 2/20 0.62
KDM4E B2RXH2 7/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
MAPT P10636 4/20 0.62
TP53 P04637 4/20 0.62
NPC1 O15118 1/20 0.62
HTT P42858 5/20 0.60
LMNA P02545 3/20 0.60
CNR2 P34972 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
TSHR P16473 2/20 0.60
GAA P10253 1/20 0.60
ESR1 P03372 1/20 0.60
ESR2 Q92731 1/20 0.60
HPGD P15428 4/20 0.59
GRIA1 P42261 1/20 0.58

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
SCHEMBL6439028 0.95 ESR1 (0.67) ALDH1A1RPS6KB1ROCK1NPSR1RAB9A
SCHEMBL30746859 0.95 ESR1 (0.67) ALDH1A1RPS6KB1ROCK1NPSR1RAB9A
SCHEMBL8025747 0.95 ALDH1A1 (0.65) ALDH1A1RPS6KB1ROCK1NPSR1RAB9A
SCHEMBL28161177 0.93 ALDH1A1 (0.60) ALDH1A1RPS6KB1ROCK1NPSR1RAB9A
SCHEMBL8011388 0.93 TP53 (0.66) ALDH1A1RPS6KB1ROCK1NPSR1RAB9A
SCHEMBL6439069 0.90 ALDH1A1 (0.56) ALDH1A1RPS6KB1ROCK1NPSR1RAB9A
SCHEMBL6439260 0.89 CNR2 (0.63) ALDH1A1RPS6KB1ROCK1NPSR1RAB9A
SCHEMBL6441068 0.88 CNR2 (0.62) ALDH1A1RPS6KB1ROCK1NPSR1RAB9A
SCHEMBL6440399 0.85 RPS6KB1 (0.58) ALDH1A1RPS6KB1ROCK1NPSR1RAB9A
SCHEMBL6439151 0.85 RPS6KB1 (0.55) ALDH1A1RPS6KB1ROCK1NPSR1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040002524-A1 Benzimidazole compounds and their use as estrogen agonists/antagonists CHESWORTH RICHARD (US) 2004-01-01 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 (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 581/4885RPS6KB1 3429/4885ROCK1 3937/4885

“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.