SCHEMBL4901438

SCHEMBL4901438

COC(=O)C(C)(C)Sc1ccc(OCCc2cc3ccccc3n2OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MCL1 Q07820 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
PPARA Q07869 4/20 0.34
PPARG P37231 4/20 0.33
PPARD Q03181 3/20 0.33
AR P10275 1/20 0.32
CNR2 P34972 1/20 0.32
MAPT P10636 3/20 0.32
PLA2G4A P47712 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL4198962 0.91 NR1H2 (0.39) NR1H2RAB9ANPC1MCL1DRD2
SCHEMBL4902726 0.89 NR1H2 (0.35) NR1H2RAB9ANPC1MCL1PPARA
SCHEMBL4198351 0.80 PPARG (0.37) NR1H2MCL1PPARAPPARGPPARD
SCHEMBL3379616 0.79 PPARG (0.46) PPARAPPARGPPARDMAPT
SCHEMBL3379870 0.76 SMN1; SMN2 (0.47) RAB9ANPC1MCL1PPARGMAPT
SCHEMBL6386838 0.76 MTNR1A (0.45) RAB9ANPC1DRD2DRD3AR
SCHEMBL3384224 0.75 PPARG (0.48) RAB9ANPC1PPARAPPARGPPARD
SCHEMBL14281453 0.71 HDAC3 (0.55) RAB9ANPC1MCL1
SCHEMBL3384312 0.71 PPARA (0.51) PPARAPPARGPPARDMAPTKMT2A
SCHEMBL14281452 0.70 MCL1 (0.54) MCL1PPARAPPARD

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-20080027098-A1 Derivatives of alpha-phenylthiocarboxylic and alpha-phenyloxy-carboxylic acids useful for the treatment of diseases responding to PPARalpha activation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-01-31 US claimed
US-20080027098-A1 Derivatives of alpha-phenylthiocarboxylic and alpha-phenyloxy-carboxylic acids useful for the treatment of diseases responding to PPARalpha activation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-01-31 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-20080027098-A1 Derivatives of alpha-phenylthiocarboxylic and alpha-phenyloxy-carboxylic acids useful for the treatment of diseases responding to PPARalpha activation PPARA, PPARD, PPARG NR1H2 12/4885RAB9A 3917/4885NPC1 558/4885

“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.