SCHEMBL18258607

SCHEMBL18258607

CC(C)C(C(=O)O)n1cccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 3/20 0.33
SLC7A5 Q01650 1/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PPARG P37231 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL14248374 1.00 RAB9A (0.39) RAB9AHSD17B10NPSR1TP53SLC7A5
SCHEMBL14247750 1.00 RAB9A (0.39) RAB9AHSD17B10NPSR1TP53SLC7A5
SCHEMBL735831 0.77 HSD17B10 (0.42) RAB9AHSD17B10NPSR1TP53MAPT
SCHEMBL18258606 0.77 HSD17B10 (0.42) RAB9AHSD17B10NPSR1TP53MAPT
SCHEMBL9735203 0.73 RAB9A (0.37) RAB9ATP53SLC7A5MEN1KMT2A
SCHEMBL9442658 0.71 MAPT (0.34) RAB9ATP53MAPTMEN1KMT2A
SCHEMBL4600810 0.70 HSD17B10 (0.37) RAB9AHSD17B10NPSR1MAPTPOLB
SCHEMBL27551712 0.69 MAPT (0.35) RAB9AHSD17B10NPSR1TP53MAPT
SCHEMBL498341 0.69 HSD17B10 (0.43) HSD17B10NPSR1POLBSMN1; SMN2TDP1
SCHEMBL7936004 0.67 HSD17B10 (0.42) HSD17B10NPSR1TP53POLBSMN1; SMN2

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 RAB9A 456/4885HSD17B10 194/4885NPSR1 2811/4885

“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.