SCHEMBL20150688

SCHEMBL20150688

CCOC(=O)CCOc1c(C=O)cccc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
SRC P12931 1/20 0.49
ESR2 Q92731 1/20 0.47
TLR2 O60603 1/20 0.46
ERN1 O75460 1/20 0.46
TLR1 Q15399 1/20 0.46
TLR6 Q9Y2C9 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
PLIN1 O60240 1/20 0.45
POLB P06746 1/20 0.45
PLIN5 Q00G26 1/20 0.45
KMT2A Q03164 1/20 0.45
ABHD5 Q8WTS1 1/20 0.45
NFE2L2 Q16236 2/20 0.43

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 0.87 ALDH1A1 (0.65) NPC1RAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL2654658 0.84 NPC1 (0.45) NPC1RAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL2558191 0.83 NPC1 (0.54) NPC1RAB9AALDH1A1SRCTLR2
SCHEMBL637742 0.82 NPC1 (0.61) NPC1RAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL29956589 0.81 RAB9A (0.50) NPC1RAB9AALDH1A1SRCTLR2
SCHEMBL664143 0.81 USP2 (0.46) NPC1RAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL2554537 0.81 NPC1 (0.52) NPC1RAB9AALDH1A1SRCTLR2
SCHEMBL1125257 0.80 SRC (0.58) NPC1RAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL637267 0.80 NPC1 (0.56) NPC1RAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL7357540 0.79 NPC1 (0.59) NPC1RAB9AALDH1A1SRCTLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 NPC1 2123/4885RAB9A 3532/4885ALDH1A1 171/4885
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 NPC1 2123/4885RAB9A 3532/4885ALDH1A1 171/4885

“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.