SCHEMBL1089166

SCHEMBL1089166

CCCC#CC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.35
CTSK P43235 4/20 0.34
CTSS P25774 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
DGAT1 O75907 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL1088319 0.88 SPHK1 (0.42) SPHK1CTSKCTSSCA12CA1
SCHEMBL1088614 0.86 SPHK1 (0.47) SPHK1KMT2AALDH1A1MEN1
SCHEMBL1100128 0.85 SPHK1 (0.49) SPHK1KMT2AALDH1A1MEN1
SCHEMBL1088806 0.83 CTSK (0.35) CTSKCTSSCA12CA1CA7
SCHEMBL9604817 0.82 CTSK (0.33) CTSK
SCHEMBL27546342 0.82 CTSK (0.33) CTSK
SCHEMBL13926370 0.80 DGAT1 (0.32) CTSKDGAT1
SCHEMBL29060117 0.79 SPHK1 (0.33) SPHK1CTSK
SCHEMBL15418773 0.79 TDP1 (0.43) SPHK1CTSK
SCHEMBL27014757 0.78 CTSK (0.35) CTSKDGAT1

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-8153839-B2 Method for synthesis of keto acids or amino acids by hydration of acetylene compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-04-10 US disclosed
US-20090216044-A1 METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-08-27 US disclosed
EP-1932824-A1 METHOD FOR SYNTHESIS OF KETO ACID OR AMINO ACID BY HYDRATION OF ACETHYLENE COMPOUND Japan Science and Technology Agency (JP) 2008-06-18 EP 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-20090216044-A1 METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND AADAT, BCAT2, BCAT1 SPHK1 4233/4885CTSK 1220/4885CTSS 2397/4885

“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.