SCHEMBL14263159

SCHEMBL14263159

CCOc1ccc(-c2ccc(CCOC(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACACB O00763 2/20 0.41
ACACA Q13085 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
XDH P47989 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL14263154 0.85 RXRA (0.51) MAPTTDP1KDM4ETP53FFAR1
SCHEMBL14263258 0.83 MAOB (0.58) SIGMAR1SMN1; SMN2
SCHEMBL14263233 0.82 TAAR1 (0.42) L3MBTL1ACACBACACATSHRTDP1
SCHEMBL14274246 0.81 NQO1 (0.52) NQO1RAB9AMAPTL3MBTL1ACACB
SCHEMBL14263158 0.79 KCNH2 (0.44) FFAR1
SCHEMBL10570997 0.78 RAB9A (0.61) NQO1SIGMAR1RAB9AMAPTL3MBTL1
SCHEMBL10613369 0.78 NQO1 (0.58) NQO1SIGMAR1RAB9AMAPTL3MBTL1
SCHEMBL17614864 0.78 NQO1 (0.58) NQO1SIGMAR1RAB9AMAPTL3MBTL1
SCHEMBL9664933 0.77 CYP3A4 (0.58) NQO1RAB9AMAPTL3MBTL1KDM4E
SCHEMBL14263242 0.77 MAOB (0.48)

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 3 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
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 NQO1 3996/4885SIGMAR1 361/4885RAB9A 2800/4885

“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.