SCHEMBL4274738

SCHEMBL4274738

CC(C)(C)c1ccc(/C=N/NC(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 6/20 0.72
RAB9A P51151 5/20 0.62
NPC1 O15118 3/20 0.62
CYP1A2 P05177 1/20 0.61
MAPT P10636 5/20 0.60
GAA P10253 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
MITF O75030 1/20 0.60
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.57
LMNA P02545 2/20 0.55
GCGR P47871 1/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53

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
SCHEMBL4274744 1.00 ESRRG (0.72) ESRRGRAB9ANPC1CYP1A2MAPT
SCHEMBL28471694 0.84 ESRRG (1.00) ESRRGRAB9ANPC1CYP1A2MAPT
SCHEMBL22925022 0.83 LMNA (0.77) ESRRGRAB9ANPC1MAPTGAA
SCHEMBL13903557 0.81 MIF (0.76) ESRRGRAB9ANPC1MAPTGAA
SCHEMBL17290220 0.81 MIF (0.76) ESRRGRAB9ANPC1MAPTGAA
SCHEMBL24278445 0.81 ESRRG (0.60) ESRRGRAB9ANPC1MAPTGAA
SCHEMBL16224308 0.81 ESRRG (0.60) ESRRGRAB9ANPC1MAPTGAA
Hydrochloric Acid SCHEMBL17560765 0.79 ESRRG (0.59) ESRRGRAB9ANPC1MAPTGAA
SCHEMBL23996030 0.78 ESRRG (0.64) ESRRGRAB9ANPC1MAPTGAA
SCHEMBL7099953 0.78 KDM4E (0.73) ESRRGRAB9ANPC1CYP1A2MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 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-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS PPARG, PPARA, PPARD ESRRG 116/4885RAB9A 4445/4885NPC1 604/4885

“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.