SCHEMBL22338588

SCHEMBL22338588

NOC(=O)C(CC(CCO)Sc1ccccc1)Sc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
PPARG P37231 4/20 0.34
PPARA Q07869 4/20 0.34
ALOX5 P09917 3/20 0.34
PTGES O14684 2/20 0.33
TRPA1 O75762 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
PKM P14618 1/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
TBXAS1 P24557 1/20 0.31
KIF11 P52732 1/20 0.31
FOLH1 Q04609 1/20 0.31
LMNA P02545 1/20 0.31
CXCL12 P48061 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL22338609 0.78 ALDH1A1 (0.34) ALDH1A1PPARGPPARAALOX5PTGES
SCHEMBL10824975 0.73 TRPA1 (0.41) ALDH1A1TRPA1SMN1; SMN2PKMLMNA
SCHEMBL22338605 0.67 CPA1 (0.42) ALDH1A1PPARGPPARAALOX5PTGES
SCHEMBL1848023 0.65 ALDH1A1 (0.42) ALDH1A1TRPA1SMN1; SMN2PKMLMNA
SCHEMBL20664948 0.64 KMT2A (0.44) ALDH1A1PPARGPPARAALOX5SMN1; SMN2
SCHEMBL7650530 0.64 MMP9 (0.46) PPARGPPARAALOX5PTGESSMN1; SMN2
SCHEMBL27889659 0.63 HTT (0.47) ALDH1A1PPARGPPARAALOX5PTGES
SCHEMBL8558691 0.63 GRM2 (0.49) PKMKIF11
SCHEMBL8856146 0.62 PPARG (0.52) ALDH1A1PPARGPPARAALOX5PTGES
SCHEMBL27767610 0.62 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAGAA

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 1201/4885PPARG 322/4885PPARA 227/4885

“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.