SCHEMBL13764231

SCHEMBL13764231

COCC(=O)OC(CCCCC(=O)NCCS(=O)(=O)O)CCC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RECQL P46063 1/20 0.33
TLR2 O60603 1/20 0.32
NAPEPLD Q6IQ20 1/20 0.30

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
SCHEMBL13764221 0.76 ALDH1A1 (0.40) TSHRALDH1A1
SCHEMBL5183652 0.70 NAMPT (0.43) TSHRALDH1A1
SCHEMBL13764212 0.70 ALDH1A1 (0.43) ALDH1A1RECQL
SCHEMBL13715068 0.69 ALDH1A1 (0.40) TSHRALDH1A1
SCHEMBL13993751 0.68 TSHR (0.34) TSHRALDH1A1TLR2NAPEPLD
SCHEMBL19137795 0.67 CASP2 (0.58) ALDH1A1
SCHEMBL13798038 0.66 TSHR (0.36) TSHRALDH1A1RECQL
SCHEMBL6856630 0.66 CASP2 (0.61) ALDH1A1
SCHEMBL21274180 0.66 CASP2 (0.61) ALDH1A1
SCHEMBL14505552 0.66 FAAH (0.58) ALDH1A1

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 TSHR 3734/4885ALDH1A1 224/4885RECQL 4664/4885

“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.