SCHEMBL13764303

SCHEMBL13764303

COC(Cc1ccccc1)C(=O)OC(CC(=O)O)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.45
CPA1 P15085 2/20 0.44
CPB1 P15086 1/20 0.44
CPA3 P15088 1/20 0.44
CPB2 Q96IY4 1/20 0.44
PPARG P37231 6/20 0.43
PPARA Q07869 6/20 0.43
PPARD Q03181 3/20 0.41
ACE P12821 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
ALOX15 P16050 1/20 0.39
LTA4H P09960 1/20 0.39
MMP12 P39900 1/20 0.39

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
SCHEMBL12141661 0.83 SRR (0.58) SRRPPARGPPARAPPARDALPI
SCHEMBL8091095 0.83 SRR (0.58) SRRPPARGPPARAPPARDALPI
SCHEMBL13764301 0.82 SRR (0.42) SRRPPARGPPARAPPARDACE
SCHEMBL19024634 0.80 TSHR (0.53) SRRPPARGPPARAPPARDACE
SCHEMBL12141423 0.78 ALDH1A1 (0.42) ALDH1A1PKM
SCHEMBL2053 0.78 SRR (0.53) SRRPPARGPPARAACEALDH1A1
SCHEMBL7150900 0.78 SRR (0.56) SRRPPARGPPARAPPARDALDH1A1
SCHEMBL12141656 0.77 CPA1 (0.44) CPA1CPB1CPA3CPB2PPARG
SCHEMBL12141643 0.76 ACE (0.43) SRRCPA3PPARGPPARAPPARD
SCHEMBL14392329 0.75 MMP8 (0.56) SRRPPARGPPARAPPARDALDH1A1

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 SRR 483/4885CPA1 2351/4885CPB1 1732/4885

“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.