SCHEMBL20068038

SCHEMBL20068038

CCOC(=O)COc1c(C=O)cccc1OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
USP2 O75604 1/20 0.54
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
NPC1 O15118 1/20 0.50
S1PR4 O95977 1/20 0.50
ITGA4 P13612 1/20 0.50
HPGD P15428 1/20 0.50
S1PR1 P21453 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
TLR9 Q9NR96 1/20 0.50
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.44

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
SCHEMBL74619 0.90 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2C19USP2MAPT
SCHEMBL20150682 0.89 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C19USP2MAPT
SCHEMBL1950817 0.88 USP2 (0.56) ALDH1A1CYP1A2CYP2C19USP2MAPT
SCHEMBL27254470 0.87 USP2 (0.51) ALDH1A1CYP1A2CYP2C19USP2MAPT
SCHEMBL9248575 0.86 PTGDR2 (0.60) ALDH1A1CYP1A2CYP2C19MAPTSMN1; SMN2
SCHEMBL15332645 0.84 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C19MAPTLMNA
SCHEMBL29922833 0.83 ALDH1A1 (0.50) ALDH1A1CYP1A2MAPTLMNASMN1; SMN2
SCHEMBL181586 0.83 ALDH1A1 (0.50) ALDH1A1CYP1A2MAPTLMNASMN1; SMN2
SCHEMBL23696963 0.83 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19USP2MAPT
SCHEMBL28921813 0.83 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C19USP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526199-B1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S R L (IT) 2022-04-13 EP disclosed
US-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2021-07-29 US disclosed
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-05-17 US disclosed
WO-2018069532-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-04-19 WO 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 (2 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-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ALDH1A1 171/4885CYP1A2 1119/4885CYP2C19 1550/4885
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ALDH1A1 171/4885CYP1A2 1119/4885CYP2C19 1550/4885

“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.