SCHEMBL15740796

SCHEMBL15740796

CCCCCCCCOc1ccc(N2CCN(CCC(=O)O)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.74
THRA P10827 5/20 0.74
KMT2A Q03164 3/20 0.55
HRH2 P25021 3/20 0.55
HRH1 P35367 3/20 0.55
LTA4H P09960 1/20 0.54
HRH3 Q9Y5N1 3/20 0.54
PLA2G4B P0C869 1/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
S1PR1 P21453 1/20 0.53
CYP1A2 P05177 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM5 P08912 1/20 0.53

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
SCHEMBL15740778 0.94 THRA (0.69) THRBTHRAKMT2AHRH2HRH1
SCHEMBL17107439 0.87 THRB (0.67) THRBTHRAKMT2AHRH2HRH1
SCHEMBL17107434 0.84 THRA (0.62) THRBTHRAHRH2HRH1LTA4H
SCHEMBL15740676 0.84 THRB (0.57) THRBTHRAHRH2HRH1LTA4H
SCHEMBL7339141 0.82 TSHR (0.76) THRBTHRAPLA2G4BALDH1A1LMNA
SCHEMBL17107398 0.82 THRA (0.60) THRBTHRAPLA2G4BALDH1A1LMNA
SCHEMBL15740774 0.82 THRB (0.54) THRBTHRAHRH2HRH1HRH3
Hydrochloric Acid SCHEMBL7334829 0.81 TSHR (0.74) THRBTHRAPLA2G4BALDH1A1LMNA
Hydrochloric Acid SCHEMBL6539254 0.81 TSHR (0.74) THRBTHRAPLA2G4BALDH1A1LMNA
Hydrochloric Acid SCHEMBL7330237 0.81 TSHR (0.74) THRBTHRAPLA2G4BALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925721-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2015-10-07 EP claimed
US-20150274663-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2015-10-01 US claimed
WO-2014081752-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-05-30 WO claimed
US-9850206-B2 S1P and/or ATX modulating agents BIOGEN MA INC. (US) 2017-12-26 US disclosed
US-9850206-B2 S1P and/or ATX modulating agents BIOGEN MA INC. (US) 2017-12-26 US disclosed
EP-2925721-B1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2017-06-07 EP disclosed
EP-2925721-B1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2017-06-07 EP disclosed
EP-2925721-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2015-10-07 EP disclosed
US-20150274663-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2015-10-01 US disclosed
US-20150274663-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2015-10-01 US disclosed
WO-2014081752-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-05-30 WO 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-20150274663-A1 S1P AND/OR ATX MODULATING AGENTS LPAR3, S1PR3, S1PR1 THRB 1366/4885THRA 2136/4885KMT2A 3438/4885

“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.