SCHEMBL13764221

SCHEMBL13764221

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.37
FFAR4 Q5NUL3 1/20 0.36
FFAR1 O14842 1/20 0.36
LMNA P02545 4/20 0.34
SLC15A2 Q16348 1/20 0.34
GSTK1 Q9Y2Q3 2/20 0.34
ENPEP Q07075 1/20 0.33
CYP1A2 P05177 1/20 0.33
AKR1B1 P15121 1/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32
MEN1 O00255 1/20 0.32
GMNN O75496 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL13764212 0.81 ALDH1A1 (0.43) ALDH1A1LMNAMAPT
SCHEMBL13764300 0.78 ALDH1A1 (0.42) ALDH1A1TSHRFFAR4FFAR1LMNA
SCHEMBL13764220 0.78 ALDH1A1 (0.54) ALDH1A1TSHRLMNACYP1A2PMP22
SCHEMBL13764231 0.76 TSHR (0.34) ALDH1A1TSHR
SCHEMBL20825373 0.75 ALDH1A1 (0.59) ALDH1A1TSHRFFAR4FFAR1LMNA
SCHEMBL17083845 0.74 FFAR4 (0.56) ALDH1A1TSHRFFAR4FFAR1LMNA
SCHEMBL27949697 0.74 FFAR4 (0.50) ALDH1A1TSHRFFAR4FFAR1LMNA
SCHEMBL12141458 0.72 GABRP (0.33) ALDH1A1FFAR4FFAR1LMNASLC15A2
SCHEMBL17083880 0.72 FFAR4 (0.53) ALDH1A1TSHRFFAR4FFAR1AKR1B1
SCHEMBL23565739 0.71 MAPK1 (0.64) ALDH1A1TSHRFFAR4FFAR1LMNA

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 ALDH1A1 224/4885TSHR 3734/4885FFAR4 84/4885

“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.