SCHEMBL23613006

SCHEMBL23613006

CCC(=O)N(CC1CC1)[C@H](C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.36
OPRM1 P35372 4/20 0.34
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
MAPT P10636 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
SCHEMBL25096917 0.82 ALOX5 (0.36) ALOX5OPRM1ALDH1A1PKMMAPT
SCHEMBL23872659 0.81 ALOX5 (0.37) ALOX5
SCHEMBL21789348 0.81 ALOX5 (0.37) ALOX5
SCHEMBL21789865 0.81 ALOX5 (0.37) ALOX5
SCHEMBL21789361 0.81 ALOX5 (0.37) ALOX5
SCHEMBL18611270 0.77 ALOX5 (0.33) ALOX5OPRM1ALDH1A1PKM
SCHEMBL20280354 0.71 ALDH1A1 (0.40) ALOX5OPRM1ALDH1A1PKMMAPT
SCHEMBL23612992 0.71 DPP4 (0.34) OPRM1
SCHEMBL23613015 0.68 ALOX5 (0.34) ALOX5ALDH1A1PKMTHRATHRB
SCHEMBL23616319 0.67 ALOX5 (0.56) ALOX5ALDH1A1PKMMAPT

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-11053253-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-07-06 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-11053253-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH ALOX5 132/4885OPRM1 2146/4885TP53 4507/4885

“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.