SCHEMBL23027213

SCHEMBL23027213

CCC[C@@H](C(=O)OCC)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
MMP8 P22894 1/20 0.53
GAA P10253 1/20 0.51
PIN1 Q13526 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL7038420 1.00 POLB (0.54) POLBMMP8GAAPIN1TDP1
SCHEMBL4206097 0.90 MMP8 (0.50) POLBMMP8GAAPIN1TDP1
SCHEMBL9000765 0.88 MMP8 (0.49) POLBMMP8GAAPIN1TDP1
SCHEMBL6671021 0.88 MMP8 (0.51) POLBMMP8GAAPIN1TDP1
SCHEMBL28333199 0.87 CYP1A2 (0.47) POLBMMP8GAAKMT2AKDM4E
SCHEMBL4886826 0.87 MMP8 (0.48) POLBMMP8GAAPIN1TDP1
SCHEMBL8818975 0.87 MMP8 (0.48) POLBMMP8GAAPIN1TDP1
SCHEMBL28066882 0.87 MMP8 (0.48) POLBMMP8GAAPIN1TDP1
SCHEMBL8564225 0.86 GAA (0.52) POLBMMP8GAAPIN1TDP1
SCHEMBL7684411 0.86 SMN1; SMN2 (0.55) POLBMMP8GAAPIN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2021-02-25 US 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-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS ADH5, HDHD5, ADH1A POLB 622/4885MMP8 2095/4885GAA 1156/4885

“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.