SCHEMBL18258598

SCHEMBL18258598

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PPARG P37231 8/20 0.39
PPARA Q07869 4/20 0.39
MAPT P10636 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 3/20 0.37
THRB P10828 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL18258597 1.00 NPSR1 (0.47) NPSR1HSD17B10PPARGPPARAMAPT
SCHEMBL18258603 0.82 NPSR1 (0.55) NPSR1HSD17B10PPARGPPARAMAPT
SCHEMBL3876229 0.82 NPSR1 (0.55) NPSR1HSD17B10PPARGPPARAMAPT
SCHEMBL18258632 0.75 NPSR1 (0.52) NPSR1HSD17B10PPARGPPARAMAPT
SCHEMBL5512388 0.75 NPSR1 (0.52) NPSR1HSD17B10PPARGPPARAMAPT
SCHEMBL27762067 0.73 DPP4 (0.38)
SCHEMBL1682325 0.73 SLC1A3 (0.39) MAPTTP53
SCHEMBL9357548 0.73 SLC1A3 (0.39) MAPTTP53
SCHEMBL18258589 0.72 NPSR1 (0.49) NPSR1HSD17B10PPARGPPARAMAPT
SCHEMBL18258587 0.72 NPSR1 (0.49) NPSR1HSD17B10PPARGPPARAMAPT

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 194/4885PPARG 399/4885

“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.