SCHEMBL17526421

SCHEMBL17526421

CC(C)(C)CCCOCCCOCCCO

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
HRH3 Q9Y5N1 3/20 0.40
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.35
GAA P10253 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
SCHEMBL13804946 0.98 TSHR (0.42) TSHRHRH3CYP4F2CYP4A11MEN1
SCHEMBL14898427 0.95 CYP4F2 (0.42) TSHRHRH3CYP4F2CYP4A11MEN1
SCHEMBL21344909 0.88 MEN1 (0.45) TSHRHRH3CYP4F2CYP4A11MEN1
SCHEMBL12561571 0.88 TSHR (0.42) TSHRHRH3CYP4F2CYP4A11MEN1
SCHEMBL14190949 0.88 TSHR (0.54) TSHRHRH3CYP4F2CYP4A11MEN1
SCHEMBL16419397 0.86 MEN1 (0.52) TSHRHRH3CYP4F2CYP4A11MEN1
SCHEMBL7182245 0.84 HRH3 (0.47) TSHRHRH3
SCHEMBL6255271 0.82 HRH3 (0.38) TSHRHRH3MEN1KMT2ATHRB
SCHEMBL25960823 0.82 HRH3 (0.46) TSHRHRH3MEN1KMT2ATHRB
SCHEMBL19668069 0.81 TSHR (0.52) TSHRHRH3CYP4F2CYP4A11MEN1

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 TSHR 4131/4885HRH3 4805/4885CYP4F2 1683/4885

“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.