SCHEMBL18258602

SCHEMBL18258602

CC(C)(C)OC(=O)n1cc(CC(C(=O)O)n2cccc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
ADAM17 P78536 1/20 0.50
EPHX1 P07099 1/20 0.49
PDE10A Q9Y233 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTR6 P50406 1/20 0.44
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
CCKAR P32238 2/20 0.40
CCKBR P32239 2/20 0.40
OPRD1 P41143 2/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PIM1 P11309 1/20 0.39
MARK3 P27448 1/20 0.39

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
SCHEMBL18258600 1.00 L3MBTL1 (0.56) L3MBTL1ADAM17EPHX1PDE10ANPSR1
SCHEMBL12042937 0.84 L3MBTL1 (0.61) L3MBTL1ADAM17EPHX1PDE10AHTR6
SCHEMBL29400976 0.83 L3MBTL1 (0.60) L3MBTL1ADAM17EPHX1PDE10AHTR6
SCHEMBL21146296 0.83 L3MBTL1 (0.60) L3MBTL1ADAM17EPHX1PDE10AHTR6
SCHEMBL18920985 0.83 L3MBTL1 (0.60) L3MBTL1ADAM17EPHX1PDE10AHTR6
SCHEMBL18528126 0.83 L3MBTL1 (0.60) L3MBTL1ADAM17EPHX1PDE10AHTR6
SCHEMBL13109139 0.82 L3MBTL1 (0.65) L3MBTL1ADAM17EPHX1PDE10AHTR6
SCHEMBL16984776 0.82 L3MBTL1 (0.49) L3MBTL1ADAM17EPHX1PDE10AHTR6
SCHEMBL22013138 0.81 L3MBTL1 (0.63) L3MBTL1ADAM17EPHX1PDE10AHTR6
SCHEMBL13109114 0.81 L3MBTL1 (0.57) L3MBTL1ADAM17EPHX1PDE10AHTR6

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 L3MBTL1 4827/4885ADAM17 4657/4885EPHX1 320/4885

“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.