SCHEMBL14263154

SCHEMBL14263154

CCOc1cccc(-c2ccc(CCOC(C)C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
SLC13A5 Q86YT5 3/20 0.51
MAOB P27338 2/20 0.47
FDFT1 P37268 1/20 0.44
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44
FFAR1 O14842 1/20 0.44
MAP4K4 O95819 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
FFAR4 Q5NUL3 2/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.41
CYP3A4 P08684 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
SCHEMBL14263159 0.85 NQO1 (0.47) FFAR1FFAR4KDM4EMAPTTDP1
SCHEMBL14274244 0.84 RXRA (0.55) RXRARXRBSLC13A5MAOBFDFT1
SCHEMBL14263158 0.78 KCNH2 (0.44) FDFT1FFAR1
SCHEMBL9260410 0.76 RXRA (0.66) RXRARXRBFGFR1FGFR2FGFR3
SCHEMBL29426410 0.76 RXRA (0.66) RXRARXRBFGFR1FGFR2FGFR3
SCHEMBL23419486 0.76 RXRA (0.59) RXRARXRBSLC13A5FGFR1FGFR2
SCHEMBL18314301 0.76 RXRA (0.59) RXRARXRBSLC13A5FGFR1FGFR2
SCHEMBL4759655 0.76 RXRA (0.63) RXRARXRBSLC13A5MAOBFGFR1
SCHEMBL4707626 0.76 RXRA (0.59) RXRARXRBSLC13A5MAOBFGFR1
SCHEMBL14263233 0.75 TAAR1 (0.42) MAOBTDP1TP53

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-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 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-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 RXRA 1216/4885RXRB 934/4885SLC13A5 4650/4885

“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.