SCHEMBL6443356

SCHEMBL6443356

Oc1ccc(-n2c(C(F)(F)F)nc3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.57
ESR1 P03372 4/20 0.57
GRIA1 P42261 1/20 0.56
CACNG8 Q8WXS5 1/20 0.56
CACNG2 Q9Y698 1/20 0.56
MAPK1 P28482 2/20 0.54
PIK3CB P42338 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
FGFR1 P11362 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL17378596 0.87 MAPK1 (0.59) ESR2ESR1MAPK1PIK3CBKDM4E
SCHEMBL3285853 0.84 MAPK1 (0.54) ESR2ESR1MAPK1PIK3CBKDM4E
SCHEMBL2093959 0.82 CYP2C9 (0.53) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL10041283 0.81 MAPK1 (0.56) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL2091385 0.81 MAPK1 (0.50) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL29116784 0.79 NOD1 (0.48) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL12937256 0.78 MAPK1 (0.74) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL1271062 0.78 NR1H2 (0.52) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL9777695 0.77 MAPK1 (0.50) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL2494868 0.76 ESR2 (0.62) 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 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 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.