SCHEMBL23192258

SCHEMBL23192258

CCC(CC)CN(CC)CCC(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
ALDH1A1 P00352 1/20 0.32
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL26504007 0.89 PLA2G1B (0.34) PLA2G1BPLA2G2AALDH1A1
SCHEMBL20076527 0.82 CYP1A2 (0.39) PLA2G1BPLA2G2AALDH1A1OPRM1OPRD1
SCHEMBL436979 0.82 PLA2G1B (0.39) PLA2G1BPLA2G2AALDH1A1OPRM1OPRD1
SCHEMBL3409861 0.82 PLA2G1B (0.39) PLA2G1BPLA2G2AALDH1A1OPRM1OPRD1
SCHEMBL13106842 0.80 PLA2G1B (0.35) PLA2G1BPLA2G2A
SCHEMBL5948663 0.79 PLA2G1B (0.36) PLA2G1BPLA2G2A
SCHEMBL5949196 0.79 PLA2G1B (0.31) PLA2G1BPLA2G2A
SCHEMBL19258143 0.77 ALDH1A1 (0.36) PLA2G1BPLA2G2AALDH1A1OPRM1OPRD1
SCHEMBL26510941 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL27306915 0.77 PLA2G1B (0.32) PLA2G1BPLA2G2A

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-20210100775-A1 COMBINATION THERAPIES MEI PHARMA, INC. 2021-04-08 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-20210100775-A1 COMBINATION THERAPIES DDIT3, MCL1, ERCC2 PLA2G1B 3764/4885PLA2G2A 3337/4885ALDH1A1 1103/4885

“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.