SCHEMBL18258646

SCHEMBL18258646

O=C(O)C(COCc1ccccc1)n1cccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.63
HSD17B10 Q99714 1/20 0.63
SLC1A1 P43005 1/20 0.50
CA1 P00915 4/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
FOLH1 Q04609 1/20 0.45
TSHR P16473 3/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.44
PPARG P37231 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MME P08473 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL18258644 1.00 NPSR1 (0.63) NPSR1HSD17B10SLC1A1CA1CA2
SCHEMBL8839263 0.79 SLC1A1 (0.73) SLC1A1CA1CA2CA7CA9
SCHEMBL7419202 0.78 NPSR1 (0.59) NPSR1HSD17B10TSHRHPGDMAPK1
SCHEMBL7419206 0.78 NPSR1 (0.59) NPSR1HSD17B10TSHRHPGDMAPK1
SCHEMBL18258615 0.78 HSD17B10 (1.00) NPSR1HSD17B10TSHRHPGDMAPK1
SCHEMBL18258610 0.78 HSD17B10 (1.00) NPSR1HSD17B10TSHRHPGDMAPK1
SCHEMBL20835663 0.77 ALDH1A1 (0.66) HSD17B10SLC1A1TSHRHPGDMAPK1
SCHEMBL20835660 0.77 ALDH1A1 (0.66) HSD17B10SLC1A1TSHRHPGDMAPK1
SCHEMBL10263668 0.77 ALDH1A1 (0.66) HSD17B10SLC1A1TSHRHPGDMAPK1
SCHEMBL18154077 0.75 HSD17B10 (0.57) NPSR1HSD17B10SLC1A1TSHRMAPK1

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 194/4885SLC1A1 1301/4885

“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.