SCHEMBL13764301

SCHEMBL13764301

C=CCC(OC(=O)C(Cc1ccccc1)OC)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.42
PPARG P37231 7/20 0.41
PPARA Q07869 7/20 0.41
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
PPARD Q03181 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ACE P12821 1/20 0.38
CYP2C19 P33261 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL13764303 0.82 SRR (0.45) SRRPPARGPPARAPPARDALDH1A1
SCHEMBL12141420 0.80 CYP2C19 (0.44) ALDH1A1CYP2C19
SCHEMBL12141661 0.80 SRR (0.58) SRRPPARGPPARAPPARD
SCHEMBL8091095 0.80 SRR (0.58) SRRPPARGPPARAPPARD
SCHEMBL12141647 0.78 PPARG (0.40) SRRPPARGPPARAMMP2MMP3
SCHEMBL19024634 0.77 TSHR (0.53) SRRPPARGPPARAPPARDALDH1A1
SCHEMBL13993766 0.76 PPARG (0.39) SRRPPARGPPARAMMP2MMP3
SCHEMBL7150900 0.75 SRR (0.56) SRRPPARGPPARAPPARDALDH1A1
SCHEMBL435251 0.73 CYP1A2 (0.50) ALDH1A1CYP2C19
SCHEMBL14392329 0.72 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 483/4885PPARG 878/4885PPARA 376/4885

“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.