SCHEMBL22921248

SCHEMBL22921248

CC(C)[C@@H]1CCCC(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
CYP2D6 P10635 1/20 0.34
CYP1A2 P05177 2/20 0.32
PRKCA P17252 3/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5585129 1.00 CA1 (0.41) CA1CA9CYP2D6CYP1A2PRKCA
SCHEMBL9114040 0.94 CA1 (0.40) CA1CA9CYP2D6CYP1A2PRKCA
SCHEMBL1107367 0.86
SCHEMBL14131228 0.86
SCHEMBL14131263 0.86
SCHEMBL20799724 0.82 CA1 (0.38) CA1CA9CYP2D6CYP1A2PRKCA
SCHEMBL14968783 0.80 CA1 (0.34) CA1CA9
SCHEMBL4986110 0.79 CA1 (0.39) CA1CA9CYP2D6CYP1A2PRKCA
SCHEMBL28481690 0.77 CA1 (0.37) CA1CA9
SCHEMBL5691663 0.74

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-20210300890-A1 Compounds Useful for Treating Liver Diseases ABIONYX PHARMA SA (FR) 2021-09-30 US disclosed
US-20210024447-A1 FUNCTIONALIZED LONG-CHAIN HYDROCARBON MONO- AND DI-CARBOXYLIC ACIDS AND THEIR USE FOR THE PREVENTION OR TREATMENT OF DISEASE ESPERVITA THERAPEUTICS, INC. 2021-01-28 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 (2 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-20210300890-A1 Compounds Useful for Treating Liver Diseases SLC10A1, FABP1, CPT1A CA1 3252/4885CA9 1004/4885CYP2D6 422/4885
US-20210024447-A1 FUNCTIONALIZED LONG-CHAIN HYDROCARBON MONO- AND DI-CARBOXYLIC ACIDS AND THEIR USE FOR THE PREVENTION OR TREATMENT OF DISEASE CPT1A, PPARG, PC CA1 2235/4885CA9 967/4885CYP2D6 729/4885

“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.