SCHEMBL17301079

SCHEMBL17301079

CCCCCCCCc1ccc(CCC(C)(COC(C)=O)COC(C)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.52
TNNC1 P63316 5/20 0.52
S1PR4 O95977 5/20 0.52
S1PR3 Q99500 5/20 0.52
S1PR5 Q9H228 5/20 0.52
SGPL1 O95470 1/20 0.52
GPR183 P32249 1/20 0.52
CERS2 Q96G23 1/20 0.52
SPHK2 Q9NRA0 3/20 0.49
SPHK1 Q9NYA1 1/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
FAAH O00519 1/20 0.48
S1PR2 O95136 3/20 0.47
ALDH1A1 P00352 2/20 0.46
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46

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
SCHEMBL17301080 0.87 THRA (0.50) THRATHRB
SCHEMBL7616848 0.83 S1PR1 (0.47) S1PR1TNNC1S1PR4S1PR3S1PR5
SCHEMBL7620688 0.83 S1PR1 (0.47) S1PR1TNNC1S1PR4S1PR3S1PR5
SCHEMBL7623202 0.83 S1PR1 (0.47) S1PR1TNNC1S1PR4S1PR3S1PR5
SCHEMBL8529514 0.81 S1PR1 (0.48) S1PR1TNNC1S1PR4S1PR3S1PR5
SCHEMBL8498503 0.81 S1PR1 (0.48) S1PR1TNNC1S1PR4S1PR3S1PR5
SCHEMBL4917300 0.81 S1PR1 (0.48) S1PR1TNNC1S1PR4S1PR3S1PR5
SCHEMBL8498832 0.81 S1PR1 (0.48) S1PR1TNNC1S1PR4S1PR3S1PR5
SCHEMBL17301077 0.80 ALDH1A1 (0.53) ALDH1A1SLC6A3LMNAPTGS2
SCHEMBL7618064 0.80 TNNC1 (0.44) S1PR1TNNC1S1PR4S1PR3S1PR5

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 S1PR1 2/4885TNNC1 4581/4885S1PR4 1/4885

“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.