SCHEMBL17693418

SCHEMBL17693418

O=COc1ccc(CCC(=O)O)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPT P10636 5/20 0.49
PKM P14618 4/20 0.49
HSD17B10 Q99714 3/20 0.49
HTT P42858 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 5/20 0.46
HPGD P15428 4/20 0.45
TSHR P16473 3/20 0.45
CYP2C19 P33261 2/20 0.45
GFER P55789 1/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
DDAH1 O94760 1/20 0.45
CYP1A2 P05177 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL17693426 0.90 EPHX2 (0.46) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL19248468 0.89 EPHX2 (0.51) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL19248482 0.88 EPHX2 (0.53) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL19248485 0.83 PRSS1 (0.38) ALDH1A1MAPTHSD17B10TDP1POLB
SCHEMBL19248456 0.78 PRSS1 (0.47) PRSS1TMPRSS15
SCHEMBL17491872 0.78 ALDH1A1 (0.66) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL19261078 0.77 ALDH1A1 (0.32) ALDH1A1HTTKDM4ETSHREPHX2
SCHEMBL19317567 0.77 ALDH1A1 (0.52) ALDH1A1MAPTTDP1POLBKDM4E
SCHEMBL19248474 0.77 ALDH1A1 (0.49) ALDH1A1MAPTPKMHSD17B10HTT
SCHEMBL7499320 0.77 ALDH1A1 (0.49) ALDH1A1MAPTPKMHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093939-A9 NOVEL MONOMERS FROM BIOMASS NDSU RESEARCH FOUNDATION (US) 2018-04-05 US disclosed
US-9738753-B2 Programmed degradation of polymers derived from biomass NDSU RESEARCH FOUNDATION (US) 2017-08-22 US disclosed
US-20170233325-A1 NOVEL MONOMERS FROM BIOMASS NDSU RESEARCH FOUNDATION (US) 2017-08-17 US disclosed
US-20160108172-A1 PROGRAMMED DEGRADATION OF POLYMERS DERIVED FROM BIOMASS NORTH DAKOTA STATE UNIVERSITY 2016-04-21 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 (3 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-20160108172-A1 PROGRAMMED DEGRADATION OF POLYMERS DERIVED FROM BIOMASS PARG, PPOX, PGLS ALDH1A1 3078/4885MAPT 2616/4885PKM 323/4885
US-20180093939-A9 NOVEL MONOMERS FROM BIOMASS DCXR, MANBA, PGLS ALDH1A1 2942/4885MAPT 1714/4885PKM 1342/4885
US-20170233325-A1 NOVEL MONOMERS FROM BIOMASS DCXR, MANBA, PGLS ALDH1A1 2942/4885MAPT 1714/4885PKM 1342/4885

“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.