SCHEMBL4442776

SCHEMBL4442776

O=C(CI)C1CCCCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ACE P12821 3/20 0.37
▸ REN P00797 1/20 0.35

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
SCHEMBL2308582 0.81 CA12 (0.38) CA12CA1CA2CA9ACE
SCHEMBL1950731 0.78 ACE (0.50) ACEREN
SCHEMBL6478173 0.78 ACE (0.50) ACEREN
SCHEMBL258790 0.78 ACE (0.50) ACEREN
SCHEMBL5642161 0.76 ACE (0.39) ACEREN
SCHEMBL27957044 0.76 ACE (0.49) ACE
SCHEMBL21874335 0.76 ACE (0.49) ACE
SCHEMBL3791081 0.76 ACE (0.49) ACE
SCHEMBL27579442 0.76 NPSR1 (0.40) —
SCHEMBL25305712 0.76 ACE (0.41) ACEREN

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-20090036435-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2009-02-05 — — 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-20090036435-A1 Pharmaceutical Compounds CDK9, CDK4, CDK19 CA12 659/4885CA1 468/4885CA2 528/4885

“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.

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