SCHEMBL6498778

SCHEMBL6498778

CCOc1ccc(Cn2c(C)nc3c(C)cc(-c4cccc(C(=O)O)c4)cc32)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
EDNRB P24530 4/20 0.41
PPARG P37231 6/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
TSPO P30536 1/20 0.38

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
SCHEMBL6498192 0.91 RXRA (0.43) PPARGRXRARXRBMRGPRX4
SCHEMBL6488966 0.89 RXRA (0.41) PPARGRXRARXRBMRGPRX4
SCHEMBL6497678 0.82 PTPN11 (0.46) PPARG
SCHEMBL6489841 0.80 PPARG (0.47) PPARGRXRARXRBMRGPRX4
SCHEMBL6488456 0.79 DCTPP1 (0.44) PPARGRXRARXRBTSPO
SCHEMBL6501593 0.78 KDM4C (0.44)
SCHEMBL6491243 0.78 TLR7 (0.41) EDNRBTAS1R3TAS1R1TSPO
SCHEMBL6496733 0.78 ALOX5AP (0.47) PPARGRXRARXRBMRGPRX4
SCHEMBL6487982 0.78 DCTPP1 (0.41) PPARGRXRARXRBMRGPRX4
SCHEMBL6490645 0.78 PTGDR (0.44) PPARGRXRARXRBMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD AGTR1 2045/4885AGTR2 2247/4885EDNRB 4021/4885

“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.