SCHEMBL13851995

SCHEMBL13851995

CCCCCCCOc1ccc(CCCCOC(C)=O)cc1C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.65
THRA P10827 2/20 0.53
THRB P10828 2/20 0.53
FAAH O00519 1/20 0.43
PLA2G2D Q9UNK4 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
S1PR4 O95977 2/20 0.41
S1PR5 Q9H228 2/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41

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
SCHEMBL12337602 0.86 S1PR1 (0.71) S1PR1THRATHRBPLA2G2DRXRA
SCHEMBL13851992 0.85 S1PR1 (0.71) S1PR1THRATHRBPLA2G2DS1PR4
SCHEMBL13665426 0.83 S1PR1 (0.65) S1PR1THRATHRBPLA2G2DRXRA
SCHEMBL12337248 0.82 S1PR1 (0.83) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL2463211 0.80 S1PR1 (0.63) S1PR1THRATHRBPLA2G2DPPARG
SCHEMBL2468704 0.80 S1PR1 (0.70) S1PR1THRATHRBPLA2G2DRXRA
SCHEMBL13665201 0.80 S1PR1 (0.63) S1PR1THRATHRBPLA2G2DPPARG
SCHEMBL10280847 0.79 S1PR1 (0.59) S1PR1THRATHRBPPARGPPARA
Amiselimod SCHEMBL2463680 0.79 S1PR1 (1.00) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL12336974 0.79 S1PR1 (1.00) S1PR1THRATHRBS1PR4S1PR5

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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes HRH3, HRH2, HRH4 S1PR1 370/4885THRA 705/4885THRB 536/4885

“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.