SCHEMBL17523799

SCHEMBL17523799

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.31
DNM1 Q05193 3/20 0.31
BCL2 P10415 1/20 0.31
RIPK1 Q13546 1/20 0.31

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
SCHEMBL17523798 1.00 ACACB (0.38) ACACBACACAALDH1A1TSHRHTR2A
SCHEMBL17523851 0.94 ACACB (0.41) ACACBACACAALDH1A1TSHRHTR2A
SCHEMBL17523849 0.94 ACACB (0.41) ACACBACACAALDH1A1TSHRHTR2A
SCHEMBL17523927 0.92 ACACB (0.44) ACACBACACAALDH1A1TSHRDNM1
SCHEMBL17523928 0.92 ACACB (0.44) ACACBACACAALDH1A1TSHRDNM1
SCHEMBL9671940 0.89 ALDH1A1 (0.45) ACACBACACAALDH1A1TSHRHTR2A
SCHEMBL2454527 0.86 ALDH1A1 (0.47) ALDH1A1TSHRHTR2AHRH1DNM1
SCHEMBL14293914 0.83 ACACB (0.48) ACACBACACAALDH1A1TSHRRIPK1
SCHEMBL17523800 0.79 ACACB (0.36) ACACBACACALMNARIPK1
SCHEMBL17523801 0.79 ACACB (0.36) ACACBACACALMNARIPK1

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.