SCHEMBL22632289

SCHEMBL22632289

CCCCCC/C=C/CCCCCCCc1cccc(OCC2CO2)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.63
PPARG P37231 3/20 0.54
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
PTGIR P43119 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL30690430 1.00 PPARA (0.63) PPARAPPARGALDH1A1TP53CYP3A4
SCHEMBL20779106 0.95 PPARA (0.57) PPARAPPARGALDH1A1TP53CYP3A4
SCHEMBL4452302 0.93 PPARA (0.55) PPARAPPARGALDH1A1TP53CYP3A4
SCHEMBL32675259 0.93 PPARA (0.55) PPARAPPARGALDH1A1TP53CYP3A4
SCHEMBL12809420 0.93 PPARA (0.55) PPARAPPARGALDH1A1TP53CYP3A4
SCHEMBL27749391 0.93 PPARA (0.54) PPARAPPARGALDH1A1TP53CYP3A4
SCHEMBL8469317 0.93 ALDH1A1 (0.60) PPARAPPARGALDH1A1TP53CYP3A4
SCHEMBL4648034 0.93 ALDH1A1 (0.60) PPARAPPARGALDH1A1TP53CYP3A4
SCHEMBL8507559 0.88 TP53 (0.64) PPARAPPARGALDH1A1TP53CYP3A4
SCHEMBL38657149 0.88 TP53 (0.64) PPARAPPARGALDH1A1TP53CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347001-A1 Synthesis of Bio-Based Polyols from Epoxidized Cardanol and Epoxidized Triglyceride by Using Thiol-Containing Reagents THE UNIVERSITY OF AKRON 2020-11-05 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-20200347001-A1 Synthesis of Bio-Based Polyols from Epoxidized Cardanol and Epoxidized Triglyceride by Using Thiol-Containing Reagents GSTO1, FDFT1, DGAT2 PPARA 811/4885PPARG 981/4885ALDH1A1 632/4885

“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.