SCHEMBL14316099

SCHEMBL14316099

CCC(C)[C@H](CC(C)C)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BIRC2 Q13490 1/20 0.41
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ MME P08473 2/20 0.38
▸ NOS3 P29474 5/20 0.36
▸ NOS1 P29475 5/20 0.36
▸ NOS2 P35228 5/20 0.36
▸ TAS1R3 Q7RTX0 4/20 0.36
▸ TAS1R1 Q7RTX1 4/20 0.36
▸ ACE P12821 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 2/20 0.34

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
SCHEMBL28291134 0.85 CA1 (0.42) CA1CA2NOS3NOS1NOS2
SCHEMBL16487289 0.84 MME (0.43) BIRC2MMETAS1R3TAS1R1SMN1; SMN2
SCHEMBL13103827 0.81 CA1 (0.39) CA1CA2MMENOS3NOS1
SCHEMBL12868880 0.80 SMN1; SMN2 (0.44) BIRC2MMETAS1R3TAS1R1SMN1; SMN2
SCHEMBL5514853 0.80 SMN1; SMN2 (0.44) BIRC2MMETAS1R3TAS1R1SMN1; SMN2
SCHEMBL9911582 0.80 SMN1; SMN2 (0.44) BIRC2MMETAS1R3TAS1R1SMN1; SMN2
SCHEMBL13880232 0.79 CA1 (0.47) BIRC2CA1CA2NOS3NOS1
SCHEMBL28312044 0.79 MGAM (0.39) BIRC2MMETAS1R3TAS1R1SMN1; SMN2
SCHEMBL9203451 0.78 CA1 (0.37) BIRC2CA1CA2NOS3NOS1
SCHEMBL6947237 0.77 MME (0.39) BIRC2MMETAS1R3TAS1R1SMN1; SMN2

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-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 — — 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-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 BIRC2 2760/4885CA1 4507/4885CA2 3976/4885

“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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