SCHEMBL6476753

SCHEMBL6476753

CCOCCCc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
CASP6 P55212 1/20 0.51
HCAR3 P49019 12/20 0.51
PLA2G4B P0C869 1/20 0.50
PDK1 Q15118 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL27487118 0.85 HCAR3 (0.63) TSHRCASP6HCAR3PDK1LMNA
SCHEMBL8215974 0.83 HCAR3 (0.64) TSHRCASP6HCAR3PLA2G4BPDK1
SCHEMBL21824057 0.83 ALDH1A1 (0.58) TSHRCASP6HCAR3PDK1LMNA
SCHEMBL9779790 0.82 HCAR3 (0.62) TSHRCASP6HCAR3PLA2G4BPDK1
SCHEMBL7575190 0.82 HCAR3 (0.62) TSHRCASP6HCAR3PLA2G4BPDK1
SCHEMBL6180268 0.82 HCAR3 (0.64) TSHRCASP6HCAR3PDK1LMNA
SCHEMBL20757 0.81 PDK1 (0.68) TSHRCASP6HCAR3PDK1LMNA
SCHEMBL2974692 0.80 HCAR3 (0.53) TSHRCASP6HCAR3LMNA
SCHEMBL177446 0.80 HCAR3 (0.53) TSHRCASP6HCAR3PLA2G4BPDK1
SCHEMBL16129649 0.80 HCAR3 (0.56) TSHRCASP6HCAR3LMNA

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
US-6855713-B2 Benzimidazole derivatives, a process for their manufacture and use as a medicine BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20030130265-A1 Benzimidazole derivatives, a process for their manufacture and use as a medicine BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-10 US disclosed
WO-2003024451-A1 2-(2-PHENYLETHYL)-BENZIMIDAZOLE-5-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-03-27 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-20030130265-A1 Benzimidazole derivatives, a process for their manufacture and use as a medicine TPSAB1, PRSS3, TPSD1 TSHR 969/4885CASP6 360/4885HCAR3 2681/4885

“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.