SCHEMBL4059136

SCHEMBL4059136

COC(CC(C)=O)CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CACNA2D1 P54289 2/20 0.38
CACNB3 P54284 1/20 0.38
CACNA1C Q13936 1/20 0.38
PGR P06401 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
CACNA2D2 Q9NY47 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
RNPEP Q9H4A4 1/20 0.33
SLC7A5 Q01650 1/20 0.33
CA2 P00918 1/20 0.31
MME P08473 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
SCHEMBL10915894 0.82 ALDH1A1 (0.39) ALDH1A1TDP1MGAMGAASI
SCHEMBL18331068 0.82 CACNA2D1 (0.52) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL16838875 0.80 CYP2C19 (0.41) ALDH1A1TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL14707981 0.80 CACNA2D1 (0.41) ALDH1A1TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL10024027 0.78 ALDH1A1 (0.36) ALDH1A1TDP1MGAMGAASI
SCHEMBL4053863 0.78 ALDH1A1 (0.36) ALDH1A1TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL4059414 0.78 TDP1 (0.36) ALDH1A1TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL10110046 0.76
SCHEMBL1772274 0.76
SCHEMBL10110030 0.76

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140308304-A1 LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS ALNYLAM PHARMACEUTICALS, INC. 2014-10-16 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
US-7553922-B2 Polyhydroxyalkanoate having ester group, carboxyl group, and sulfonic group, and method of producing the same CANON KABUSHIKI KAISHA (JP) 2009-06-30 US disclosed
US-20070155912-A1 Polyhydroxyalkanoate having ester group, carboxyl group, and sulfonic group, and method of producing the same CANON KABUSHIKI KAISHA (JP) 2007-07-05 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-20140308304-A1 LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS NPC1L1, NPC1, CETP ALDH1A1 4580/4885TDP1 4210/4885CACNA2D1 4586/4885

“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.