SCHEMBL3575375

SCHEMBL3575375

C[CH]C(N)Oc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
SLC6A4 P31645 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
NFE2L2 Q16236 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
SLC1A5 Q15758 1/20 0.37
RELA Q04206 1/20 0.37
SLC1A1 P43005 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL9124739 0.80 ACHE (0.48) SLC6A4PPARGKMT2AACHE
SCHEMBL23067916 0.79 HPGD (0.49) HPGDSLC6A4PPARGPPARANFE2L2
SCHEMBL8909089 0.77 ALDH1A1 (0.43) SLC6A4PPARGPPARANFE2L2
SCHEMBL8909407 0.77 CA4 (0.39) SLC6A4
SCHEMBL366155 0.77 CA4 (0.39) SLC6A4
SCHEMBL9325097 0.75 SLC6A4 (0.49) HPGDSLC6A4PPARGPPARAMEN1
SCHEMBL104732 0.75 HPGD (0.51) HPGDSLC6A4PPARGPPARANFE2L2
SCHEMBL96595 0.73 HPGD (0.54) HPGDSLC6A4PPARGPPARANFE2L2
SCHEMBL16294967 0.72 PPARG (0.53) HPGDSLC6A4PPARGPPARANFE2L2
SCHEMBL1619629 0.72 HPGD (0.49) HPGDSLC6A4PPARGPPARANFE2L2

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-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 EP 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-20060270693-A1 Ether derivative UROD, IL5, IL17A HPGD 82/4885SLC6A4 3793/4885PPARG 159/4885

“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.