SCHEMBL14263243

SCHEMBL14263243

CC(C)OCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
TAAR1 Q96RJ0 1/20 0.46
FDFT1 P37268 2/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KIF11 P52732 6/20 0.42
KCNH2 Q12809 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL14263144 0.95 TAAR1 (0.50) MAOBTAAR1FDFT1MEN1KMT2A
SCHEMBL14263245 0.85 MAOB (0.59) MAOBKIF11ALDH1A1
SCHEMBL14274243 0.81 MAOB (0.58) MAOBTAAR1FDFT1MEN1KMT2A
SCHEMBL14263158 0.79 KCNH2 (0.44) TAAR1FDFT1KCNH2IDO1ALDH1A1
SCHEMBL14263233 0.79 TAAR1 (0.42) MAOBTAAR1
SCHEMBL23134263 0.78 TAAR1 (0.47) MAOBTAAR1MEN1KMT2AKCNH2
SCHEMBL23134271 0.78 MEN1 (0.44) MAOBTAAR1FDFT1MEN1KMT2A
SCHEMBL14263242 0.77 MAOB (0.48) MAOBTAAR1MEN1KMT2A
SCHEMBL14274195 0.77 CYP4F2 (0.38) MAOBKMT2AKIF11
SCHEMBL12964410 0.77 IDO1 (0.57) MAOBTAAR1MEN1KMT2AIDO1

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 596/4885FDFT1 1554/4885

“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.