SCHEMBL13764223

SCHEMBL13764223

COC(C)C(=O)OC(CCCC(C)=O)CC(=O)Nc1ccccc1S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
POLB P06746 1/20 0.33
HSD17B10 Q99714 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
PTPRC P08575 1/20 0.31
PTPN13 Q12923 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL13764286 0.85 POLB (0.36) POLBHSD17B10KDM4EALDH1A1RAB9A
SCHEMBL13764186 0.82 RAB9A (0.38) CA1CA2HSD17B10KDM4EALDH1A1
SCHEMBL13764230 0.82 POLB (0.38) CA1CA2POLBHSD17B10KDM4E
SCHEMBL13764189 0.81 CA1 (0.38) CA1CA2POLBHSD17B10KDM4E
SCHEMBL12141371 0.80 CA1 (0.36) CA1CA2POLBHSD17B10KDM4E
SCHEMBL13764187 0.79 HDAC2 (0.40) CA1CA2HSD17B10KDM4EALDH1A1
SCHEMBL12141386 0.78 HDAC2 (0.41) ALDH1A1RAB9AHDAC3HDAC1HDAC4
SCHEMBL13995226 0.78 CA1 (0.38) CA1CA2POLBHSD17B10KDM4E
SCHEMBL13993737 0.78 CA1 (0.35) CA1CA2POLBHSD17B10KDM4E
SCHEMBL13764226 0.78 TP53 (0.38) POLBALDH1A1RAB9AHDAC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557176-B2 Polyhydroxyalkanoic acid having vinyl, ester, carboxyl or sulfonic acid group and producing method therefor CANON KABUSHIKI KAISHA (JP) 2009-07-07 US disclosed
US-20080064828-A1 Polyhydroxyalkanoic Acid Having Vinyl, Ester, Carboxyl or Sulfonic Acid Group and Producing Method Therefor CANON KABUSHIKI KAISHA (JP) 2008-03-13 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-20080064828-A1 Polyhydroxyalkanoic Acid Having Vinyl, Ester, Carboxyl or Sulfonic Acid Group and Producing Method Therefor FAR1, ACSL4, ACAD11 CA1 1473/4885CA2 1054/4885POLB 3440/4885

“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.