SCHEMBL17301080

SCHEMBL17301080

CCCCCCCC(=O)c1ccc(CCC(C)(COC(C)=O)COC(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.50
THRB P10828 9/20 0.50
HSD17B3 P37058 6/20 0.49
STS P08842 4/20 0.44
HAO1 Q9UJM8 1/20 0.43

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
SCHEMBL17301079 0.87 S1PR1 (0.52) THRATHRB
SCHEMBL7623199 0.85 THRA (0.46) THRATHRBHSD17B3STSHAO1
SCHEMBL7622013 0.85 THRA (0.46) THRATHRBHSD17B3STSHAO1
SCHEMBL7622400 0.85 THRA (0.46) THRATHRBHSD17B3STSHAO1
SCHEMBL15894876 0.84 THRA (0.46) THRATHRBHSD17B3STSHAO1
SCHEMBL8520804 0.83 THRA (0.45) THRATHRBHSD17B3STS
SCHEMBL7613374 0.82 THRA (0.45) THRATHRBHSD17B3STSHAO1
SCHEMBL7714029 0.82 THRA (0.45) THRATHRBHSD17B3STSHAO1
SCHEMBL8501592 0.82 THRA (0.57) THRATHRBHSD17B3STSHAO1
SCHEMBL4293988 0.82 THRA (0.57) THRATHRBHSD17B3STSHAO1

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-9732030-B2 Process for the preparation of fingolimod and its salts SHILPA MEDICARE LIMITED (IN) 2017-08-15 US disclosed
US-20150344409-A1 PROCESS FOR THE PREPARATION OF FINGOLIMOD AND ITS SALTS SHILPA MEDICARE LIMITED (IN) 2015-12-03 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-20150344409-A1 PROCESS FOR THE PREPARATION OF FINGOLIMOD AND ITS SALTS S1PR4, S1PR1, S1PR5 THRA 2574/4885THRB 1347/4885HSD17B3 1192/4885

“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.