SCHEMBL22338609

SCHEMBL22338609

C=C(C)C(O)CC(CC(Sc1ccccc1)C(=O)ON)Sc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
ALOX5 P09917 2/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
PTGES O14684 1/20 0.30
HPGD P15428 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
SCHEMBL22338588 0.78 ALDH1A1 (0.35) ALDH1A1ALOX5PPARGPPARAPKM
SCHEMBL28575137 0.64 HTT (0.50) ALDH1A1ALOX5PPARGPPARAPKM
SCHEMBL20664948 0.63 KMT2A (0.44) ALDH1A1ALOX5PPARGPPARAPKM
SCHEMBL22338605 0.63 CPA1 (0.42) ALDH1A1ALOX5PPARGPPARAPKM
Acetone SCHEMBL12482998 0.61 SRR (0.50) ALDH1A1PKM
SCHEMBL3959622 0.60 HTT (0.53) ALDH1A1ALOX5PPARGPPARAPKM
SCHEMBL7650530 0.60 MMP9 (0.46) ALOX5PPARGPPARASMN1; SMN2LMNA
SCHEMBL9099120 0.59 HTT (0.71) ALDH1A1ALOX5PPARGPPARAPKM
SCHEMBL1931269 0.59 HTT (0.71) ALDH1A1ALOX5PPARGPPARAPKM
SCHEMBL27889659 0.59 HTT (0.47) ALDH1A1ALOX5PPARGPPARAPKM

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-20200255368-A1 CONVERSION OF DICARBOXYLIC ACIDS TO MONOMERS AND PLASTICIZERS Alliance for Energy Innovation, LLC 2020-08-13 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-20200255368-A1 CONVERSION OF DICARBOXYLIC ACIDS TO MONOMERS AND PLASTICIZERS TRRAP, HCAR2, SCD ALDH1A1 1201/4885ALOX5 201/4885PPARG 322/4885

“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.