SCHEMBL20150682

SCHEMBL20150682

CCOc1cccc(C=O)c1OCC(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.43
SRC P12931 1/20 0.43
USP2 O75604 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TLR2 O60603 1/20 0.42
ERN1 O75460 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
GLA P06280 1/20 0.42
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40

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
SCHEMBL20068038 0.89 ALDH1A1 (0.56) ALDH1A1MAPTCYP1A2CYP2C19PTGDR2
SCHEMBL9248575 0.86 PTGDR2 (0.60) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL2556276 0.85 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL15332645 0.84 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL2553617 0.84 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL181586 0.83 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL29922833 0.83 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL74619 0.82 ALDH1A1 (0.65) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL15333167 0.82 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL2561415 0.82 SMN1; SMN2 (0.47) ALDH1A1MAPTKMT2AKDM4EMEN1

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-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-05-17 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-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ALDH1A1 171/4885MAPT 1263/4885KMT2A 1353/4885

“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.