SCHEMBL17523792

SCHEMBL17523792

CCCC[C@H](O)CCCC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.42
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
FFAR1 O14842 1/20 0.42
NFKB1 P19838 1/20 0.41
GPR84 Q9NQS5 5/20 0.39
FDPS P14324 1/20 0.39
CA2 P00918 4/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 2/20 0.37
ALDH1A1 P00352 1/20 0.36
DNM1 Q05193 1/20 0.35

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
SCHEMBL17523793 1.00 FFAR4 (0.42) FFAR4ACACBACACAFFAR1NFKB1
SCHEMBL10268276 0.95 ACACB (0.48) FFAR4ACACBACACAFFAR1NFKB1
SCHEMBL8897199 0.93 ACACB (0.52) FFAR4ACACBACACAFFAR1NFKB1
SCHEMBL30483471 0.93 ACACB (0.52) FFAR4ACACBACACAFFAR1NFKB1
SCHEMBL17523843 0.93 FFAR4 (0.50) FFAR4ACACBACACAFFAR1NFKB1
SCHEMBL17523845 0.93 FFAR4 (0.50) FFAR4ACACBACACAFFAR1NFKB1
SCHEMBL7404026 0.93 FFAR4 (0.41) FFAR4ACACBACACAFFAR1NFKB1
SCHEMBL8895497 0.91 FFAR1 (0.53) FFAR4ACACBACACAFFAR1NFKB1
SCHEMBL17523920 0.91 FFAR1 (0.53) FFAR4ACACBACACAFFAR1NFKB1
SCHEMBL29229895 0.91 FFAR1 (0.53) FFAR4ACACBACACAFFAR1NFKB1

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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2016-02-11 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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 FFAR4 2413/4885ACACB 1771/4885ACACA 2462/4885

“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.