SCHEMBL21140253

SCHEMBL21140253

CC(C)OCCCOC(=O)NCCCCCC(=O)NCCNC(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.42
EPHX2 P34913 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL20869876 0.82 ACHE (0.52) ACHEEPHX2
SCHEMBL20100180 0.79 ALDH1A1 (0.53) EPHX2ALDH1A1LMNAGAA
SCHEMBL20100181 0.79 ALDH1A1 (0.53) EPHX2ALDH1A1LMNAGAA
SCHEMBL21842269 0.79 ALDH1A1 (0.53) EPHX2ALDH1A1LMNAGAA
SCHEMBL12543513 0.76 ALDH1A1 (0.61) ALDH1A1LMNAGAA
SCHEMBL23735666 0.76 POLB (0.49) EPHX2ALDH1A1CYP3A4RAB9ALMNA
SCHEMBL19686832 0.76 CASP2 (0.59) EPHX2
SCHEMBL26709266 0.76 CASP2 (0.59) EPHX2
SCHEMBL19960608 0.75 CASP2 (0.62) EPHX2
SCHEMBL26700975 0.74 CNR1 (0.47) EPHX2ALDH1A1CYP3A4RAB9ALMNA

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-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF PHARMAKEA, INC. 2019-06-27 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-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF LOXL2, LOXL1, LOXL3 ACHE 3550/4885EPHX2 393/4885ALDH1A1 1508/4885

“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.