SCHEMBL14263258

SCHEMBL14263258

COc1ccc(-c2ccc(CCOC(C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.58
TAAR1 Q96RJ0 1/20 0.48
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC6A4 P31645 1/20 0.46
AOC3 Q16853 2/20 0.45
CALM1 P0DP23 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
IDO1 P14902 1/20 0.42
ESR2 Q92731 1/20 0.42
F2RL1 P55085 1/20 0.42

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
SCHEMBL14499023 0.94 TAAR1 (0.53) MAOBTAAR1HTTSMN1; SMN2SLC6A4
SCHEMBL14263251 0.84 CALM1 (0.55) MAOBTAAR1HTTSMN1; SMN2SLC6A4
SCHEMBL14263159 0.83 NQO1 (0.47) SMN1; SMN2SIGMAR1
SCHEMBL14263158 0.81 KCNH2 (0.44) TAAR1ALDH1A1IDO1
SCHEMBL14263233 0.81 TAAR1 (0.42) MAOBTAAR1
SCHEMBL14263242 0.80 MAOB (0.48) MAOBTAAR1AOC3
SCHEMBL14274195 0.80 CYP4F2 (0.38) MAOB
SCHEMBL29143222 0.78 TAAR1 (0.52) MAOBTAAR1HTTSMN1; SMN2SLC6A4
SCHEMBL10569081 0.77 MAOB (0.70) MAOBTAAR1AOC3CALM1SIGMAR1
SCHEMBL14263243 0.76 MAOB (0.53) MAOBTAAR1ALDH1A1IDO1

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 MAOB 2920/4885TAAR1 596/4885HTT 2983/4885

“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.