SCHEMBL17523927

SCHEMBL17523927

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
DNM1 Q05193 3/20 0.38
KDM4A O75164 11/20 0.33
KDM4C Q9H3R0 11/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM5A P29375 1/20 0.33
KDM7A Q6ZMT4 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33

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
SCHEMBL17523928 1.00 ACACB (0.44) ACACBACACAALDH1A1TSHRDNM1
SCHEMBL17523849 0.98 ACACB (0.41) ACACBACACAALDH1A1TSHRDNM1
SCHEMBL17523851 0.98 ACACB (0.41) ACACBACACAALDH1A1TSHRDNM1
SCHEMBL17523798 0.92 ACACB (0.38) ACACBACACAALDH1A1TSHRDNM1
SCHEMBL17523799 0.92 ACACB (0.38) ACACBACACAALDH1A1TSHRDNM1
SCHEMBL17769386 0.85 ALDH1A1 (0.53) ACACBACACAALDH1A1TSHRDNM1
SCHEMBL22819360 0.83 ACACB (0.59) ACACBACACA
SCHEMBL6178291 0.83 ACACB (0.59) ACACBACACA
SCHEMBL17523932 0.81 ACACB (0.42) ACACBACACASIGMAR1
SCHEMBL17523929 0.81 ACACB (0.42) ACACBACACASIGMAR1

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 ACACB 1771/4885ACACA 2462/4885ALDH1A1 2376/4885

“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.