SCHEMBL19084670

SCHEMBL19084670

CC(C)Oc1ccc(/C=[N+](\[O-])C(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.50
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.37
PARP10 Q53GL7 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL2152818 0.80 FBP1 (0.49) NPC1RAB9AALDH1A1LMNATSHR
SCHEMBL9477157 0.76 ALDH1A1 (0.42) NPC1RAB9AMAPTALDH1A1ALOX15
SCHEMBL7921065 0.76 ALDH1A1 (0.40) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL6154484 0.76 PTGS2 (0.51) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL15216491 0.74 FBP1 (0.44) NPC1RAB9AALDH1A1GAASMN1; SMN2
SCHEMBL28552488 0.74 FBP1 (0.44) NPC1RAB9AALDH1A1GAASMN1; SMN2
SCHEMBL8002732 0.73 MAPT (0.49) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL6154192 0.73 AHR (0.45) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL5671601 0.73 POLB (0.40) ALDH1A3MAPTALDH1A1LMNAGAA
SCHEMBL8039808 0.72 ALDH1A1 (0.46) NPC1MAPTALDH1A1GAAKMT2A

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-20170189429-A1 Treating Arrhythmia with Mitochondrial-Targeted Antioxidants RHODE ISLAND HOSPITAL 2017-07-06 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-20170189429-A1 Treating Arrhythmia with Mitochondrial-Targeted Antioxidants COQ8A, SQOR, COQ8B ALDH1A3 446/4885NPC1 1157/4885RAB9A 957/4885

“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.