SCHEMBL1704841

SCHEMBL1704841

CNC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
PPARG P37231 9/20 0.56
LTA4H P09960 2/20 0.53
MME P08473 1/20 0.53
ACE P12821 1/20 0.53
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
PPARA Q07869 3/20 0.52
GPR34 Q9UPC5 1/20 0.52
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAOB P27338 1/20 0.51
PPARD Q03181 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49

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
SCHEMBL26897332 0.89 LTA4H (0.55) MMP9MMP8PPARGLTA4HMME
SCHEMBL2035189 0.87 PPARG (0.67) MMP9MMP8PPARGLTA4HMME
SCHEMBL2030203 0.87 PPARG (0.67) MMP9MMP8PPARGLTA4HMME
SCHEMBL8760872 0.87 PPARG (0.67) MMP9MMP8PPARGLTA4HMME
SCHEMBL8909419 0.86 NPC1 (0.57) MMP9MMP8PPARGLTA4HMME
SCHEMBL24168623 0.86 TAAR1 (0.47) MMEACEACE2NPC1RAB9A
SCHEMBL16724755 0.86 TAAR1 (0.47) MMEACEACE2NPC1RAB9A
SCHEMBL13013217 0.85 PPARG (0.62) MMP9MMP8PPARGLTA4HMME
SCHEMBL684726 0.85 PPARG (0.62) MMP9MMP8PPARGLTA4HMME
SCHEMBL13227760 0.85 PPARG (0.62) MMP9MMP8PPARGLTA4HMME

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-9040531-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2015-05-26 US disclosed
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO MMP9 2690/4885MMP8 849/4885PPARG 773/4885

“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.