SCHEMBL13618709

SCHEMBL13618709

CC(C)(C)c1ccc(-c2ccccc2NO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.44
CHRM3 P20309 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.41
UQCRB P14927 1/20 0.41
HSD17B2 P37059 1/20 0.41
HDAC1 Q13547 1/20 0.40
MEN1 O00255 1/20 0.40
NR2F2 P24468 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR1 P21453 1/20 0.40
TACR1 P25103 1/20 0.39
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL22388748 0.80 TRPV1 (0.56) TRPV1CHRM3NPC1RAB9AALDH1A1
SCHEMBL4741129 0.80 TACR1 (0.51) TRPV1CHRM3NPC1RAB9AALDH1A1
SCHEMBL25450282 0.79 KCNK18 (0.44) TRPV1CHRM3ALDH1A1L3MBTL1GLA
SCHEMBL5358209 0.79 KIF11 (0.44) CHRM3S1PR1KIF11
SCHEMBL2010850 0.78 FABP3 (0.52) ALDH1A1L3MBTL1ATMHDAC1MEN1
SCHEMBL14302570 0.76 ABL1 (0.52) ALDH1A1MEN1KMT2ALMNA
SCHEMBL4904785 0.76 KIF11 (0.48) NPC1RAB9AALDH1A1L3MBTL1MEN1
SCHEMBL29407530 0.75 ABCG2 (0.48) NPC1RAB9ATACR1LMNA
SCHEMBL21226201 0.75 ABCG2 (0.48) NPC1RAB9ATACR1LMNA
SCHEMBL7995293 0.75 KCNK18 (0.39) CHRM3NPC1RAB9AALDH1A1L3MBTL1

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-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-05 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-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function ATP5F1A, ATP5MF, MT-ATP6 TRPV1 3140/4885CHRM3 4451/4885NPC1 1087/4885

“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.