SCHEMBL14263233

SCHEMBL14263233

CCc1ccc(-c2ccc(CCOC(C)C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
HRH3 Q9Y5N1 1/20 0.36
MAOB P27338 2/20 0.35
EGFR P00533 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
UCHL1 P09936 1/20 0.35
ACACB O00763 2/20 0.35
ACACA Q13085 2/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 2/20 0.33
CYP17A1 P05093 1/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL14263158 0.85 KCNH2 (0.44) TAAR1
SCHEMBL14263242 0.83 MAOB (0.48) TAAR1MAOBMAPK1
SCHEMBL14274195 0.83 CYP4F2 (0.38) HRH3MAOBCYP4F2CYP4A11ACACB
SCHEMBL14263159 0.82 NQO1 (0.47) ACACBACACATSHRTDP1L3MBTL1
SCHEMBL14263258 0.81 MAOB (0.58) TAAR1MAOB
SCHEMBL14263243 0.79 MAOB (0.53) TAAR1MAOB
SCHEMBL14274245 0.78 TAAR1 (0.46) TAAR1HRH3MAOBEGFRUCHL1
SCHEMBL12736281 0.78 TAAR1 (0.46) TAAR1HRH3MAOBEGFRUCHL1
SCHEMBL14499021 0.78 CYP1A2 (0.46) TAAR1HRH3
SCHEMBL683172 0.77 TAAR1 (0.42) TAAR1EGFRCYP4F2CYP4A11TSHR

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 TAAR1 596/4885HRH3 548/4885MAOB 2920/4885

“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.