SCHEMBL20076356

SCHEMBL20076356

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

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
TSHR P16473 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
SCHEMBL19861383 1.00 ACACB (0.36) ACACBACACATSHR
SCHEMBL8898822 1.00 ACACB (0.36) ACACBACACATSHR
SCHEMBL8899208 0.94 ACACB (0.46) ACACBACACATSHR
SCHEMBL9446083 0.90 ACACB (0.39) ACACBACACATSHR
SCHEMBL1291170 0.88 TSHR (0.36) TSHR
SCHEMBL8896558 0.84 ACACB (0.35) ACACBACACATSHR
SCHEMBL8895374 0.80 FFAR1 (0.50) ACACBACACA
SCHEMBL13106385 0.80 ACACB (0.37) ACACBACACA
SCHEMBL18722151 0.80 TSHR (0.36) ACACBACACATSHR
SCHEMBL8896548 0.80 GPR84 (0.42) ACACBACACA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647747-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2020-05-12 US disclosed
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2018-04-19 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 (2 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-10647747-B2 Cyclosporin derivatives and uses thereof FKBP5, FKBP1B, MALT1 ACACB 1776/4885ACACA 2171/4885TSHR 4095/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 ACACB 1771/4885ACACA 2462/4885TSHR 4131/4885

“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.