SCHEMBL3976931

SCHEMBL3976931

CCC(CCC1OC(=O)COC1=O)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASP1 P29466 2/20 0.36
CASP3 P42574 2/20 0.36
CASP7 P55210 2/20 0.36
CASP6 P55212 2/20 0.36
CASP8 Q14790 2/20 0.36
NAAA Q02083 5/20 0.35
PSMB11 A5LHX3 1/20 0.35
PSMD11 O00231 1/20 0.35
PSMD12 O00232 1/20 0.35
PSMD14 O00487 1/20 0.35
PSMA7 O14818 1/20 0.35
PSMD3 O43242 1/20 0.35
PSMC3 P17980 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMA1 P25786 1/20 0.35

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
SCHEMBL567609 0.81 CASP1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19CASP1
SCHEMBL567494 0.79 ALDH1A1 (0.43) ALDH1A1
SCHEMBL567024 0.79 ALDH1A1 (0.43) ALDH1A1
SCHEMBL3978073 0.77 ALDH1A1 (0.41) ALDH1A1CASP1
SCHEMBL536617 0.77 GLA (0.47) ALDH1A1CASP1CASP3CASP7CASP6
SCHEMBL567327 0.77 GLA (0.47) ALDH1A1CASP1CASP3CASP7CASP6
SCHEMBL3976930 0.76 EPHX2 (0.43) ALDH1A1CYP3A4
SCHEMBL567608 0.74 HTT (0.51)
SCHEMBL567366 0.74 HTT (0.51)
SCHEMBL26825081 0.73 CA1 (0.56) ALDH1A1HPGDCYP3A4

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-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
EP-1758948-B1 POLYHYDROXYALKANOIC ACID HAVING VINYL, ESTER, CARBOXYL OR SULFONIC ACID GROUP AND PRODUCING METHOD THEREFOR CANON KK (JP) 2009-05-13 EP 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 ALDH1A1 224/4885HPGD 281/4885CYP3A4 386/4885

“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.