SCHEMBL6765188

SCHEMBL6765188

COc1ccc(CNc2nc(CCCCC(=O)O)nc3c2SC2CCCC=C32)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.40

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
SCHEMBL6708213 0.74 ACHE (0.43) PDE5A
SCHEMBL29380456 0.73 MAPT (0.44) PDE5A
SCHEMBL3142074 0.73 MAPT (0.44) PDE5A
SCHEMBL6709590 0.73 ACHE (0.42) PDE5A
SCHEMBL6711570 0.73 ACHE (0.42) PDE5A
SCHEMBL5249850 0.73 MAPT (0.44) PDE5A
SCHEMBL5248552 0.73 MAPT (0.44) PDE5A
SCHEMBL6708187 0.73 KDM4E (0.44) PDE5A
SCHEMBL6711488 0.73 ACHE (0.42) PDE5A
SCHEMBL6711591 0.72 KDM4E (0.43) PDE5A

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-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists MERCK PATENT GMBH (DE) 2004-04-01 US claimed

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-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR PDE5A 7/4885

“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.