SCHEMBL23340705

SCHEMBL23340705

C=CCOC(=O)[C@@H](N)C1CCCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
DPP4 P27487 14/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DPP7 Q9UHL4 5/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX1 P07099 1/20 0.38
KCNH2 Q12809 1/20 0.37
CASP1 P29466 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
SCHEMBL3917383 0.82 ALDH1A1 (0.47) ALDH1A1GAANPSR1NPC1MAPT
SCHEMBL296011 0.82 ALDH1A1 (0.47) ALDH1A1GAANPSR1NPC1MAPT
SCHEMBL1234256 0.80 ALDH1A1 (0.48) ALDH1A1GAANPSR1NPC1MAPT
SCHEMBL6545328 0.79 ALDH1A1 (0.44) ALDH1A1GAANPSR1NPC1MAPT
SCHEMBL27573216 0.79 ALDH1A1 (0.47) ALDH1A1GAADPP4NPSR1NPC1
Acetic Acid SCHEMBL27819914 0.78 ALDH1A1 (0.43) ALDH1A1GAANPSR1NPC1MAPT
SCHEMBL21107395 0.78 ALDH1A1 (0.48) ALDH1A1DPP4NPSR1
SCHEMBL1320791 0.78 ALDH1A1 (0.48) ALDH1A1DPP4NPSR1
SCHEMBL6870669 0.78 ALDH1A1 (0.45) ALDH1A1GAANPSR1NPC1MAPT
SCHEMBL6545168 0.77 ALDH1A1 (0.46) ALDH1A1GAANPSR1NPC1MAPT

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-20210130411-A1 CYCLIC HEXAPEPTIDES COMPOUNDS WITH ANTI-MALARIAL ACTIVITY UNIVERSIDAD DE LA REPÚBLICA (UDELAR) (UY) 2021-05-06 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-20210130411-A1 CYCLIC HEXAPEPTIDES COMPOUNDS WITH ANTI-MALARIAL ACTIVITY VIP, NGLY1, HAMP ALDH1A1 4645/4885GAA 1224/4885DPP4 265/4885

“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.