SCHEMBL6909402

SCHEMBL6909402

CC1(c2nc3ccccc3n2-c2ccc(O)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.54
ESR1 P03372 4/20 0.54
GRIA1 P42261 1/20 0.49
CACNG8 Q8WXS5 1/20 0.49
CACNG2 Q9Y698 1/20 0.49
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
FGFR1 P11362 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CRBN Q96SW2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
SLC22A12 Q96S37 2/20 0.36

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
SCHEMBL6440195 0.83 RPS6KB1 (0.49) LMNAHTTALDH1A1MEN1NPC1
SCHEMBL3969719 0.75 HTT (0.41) LMNAHTTL3MBTL1ALDH1A1MEN1
SCHEMBL6492889 0.73 SMN1; SMN2 (0.52) LMNAHTTL3MBTL1ALDH1A1MEN1
SCHEMBL2494868 0.72 ESR2 (0.62) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6439732 0.72 ESR2 (0.61) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6461042 0.72 ESR2 (0.57) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6440249 0.71 ESR2 (0.91) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL9007262 0.71 ESR2 (0.91) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6439085 0.71 ESR2 (0.56) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL2502426 0.70 POLB (0.57) 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 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 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.