SCHEMBL18258587

SCHEMBL18258587

CCCC[C@@H](C(=O)O)n1cccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPK1 P28482 2/20 0.44
CA2 P00918 1/20 0.44
PPARG P37231 3/20 0.41
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
PPARA Q07869 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL18258589 1.00 NPSR1 (0.49) NPSR1HSD17B10MAPK1CA2PPARG
SCHEMBL5524539 0.94 NPSR1 (0.47) NPSR1HSD17B10MAPK1CA2PPARG
SCHEMBL3868378 0.93 GPR84 (0.48) NPSR1HSD17B10PPARGGPR84FFAR1
SCHEMBL18258631 0.93 GPR84 (0.48) NPSR1HSD17B10PPARGGPR84FFAR1
SCHEMBL18258632 0.88 NPSR1 (0.52) NPSR1HSD17B10MAPK1PPARGMAPT
SCHEMBL5512388 0.88 NPSR1 (0.52) NPSR1HSD17B10MAPK1PPARGMAPT
SCHEMBL29642627 0.83 CA2 (0.46) NPSR1HSD17B10MAPK1CA2PPARG
SCHEMBL11535290 0.81 HSD17B10 (0.49) NPSR1HSD17B10MAPK1PPARGTP53
SCHEMBL18258603 0.79 NPSR1 (0.55) NPSR1HSD17B10MAPK1PPARGMAPT
SCHEMBL3876229 0.79 NPSR1 (0.55) NPSR1HSD17B10MAPK1PPARGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796640-B2 Method for producing optically active carboxylic acid ester TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-10-24 US disclosed
US-20170008820-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-01-12 US disclosed
EP-3098217-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER Tokyo University of Science Foundation (JP) 2016-11-30 EP 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-20170008820-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER ADH1A, ALDH1A2, ADH1C NPSR1 2811/4885HSD17B10 194/4885MAPK1 1165/4885

“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.