SCHEMBL6640596

SCHEMBL6640596

Cc1cc(C(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
TSHR P16473 5/20 0.53
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
MAPK1 P28482 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.50
ATM Q13315 1/20 0.50
CYP3A4 P08684 2/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
GLA P06280 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4089390 0.86 NPC1 (0.60) MAPTTSHRRAB9ANPC1MAPK1
SCHEMBL29588338 0.86 NPC1 (0.60) MAPTTSHRRAB9ANPC1MAPK1
SCHEMBL6222813 0.86 TSHR (0.55) MAPTTSHRRAB9ANPC1MAPK1
SCHEMBL30822033 0.82 MAPK1 (0.55) MAPTTSHRMAPK1TDP1HSD17B10
SCHEMBL3778792 0.82 MAPK1 (0.55) MAPTTSHRMAPK1TDP1HSD17B10
SCHEMBL10661420 0.82 MAPT (0.53) MAPTTSHRRAB9AMAPK1TDP1
SCHEMBL12384891 0.82 MAPK1 (0.47) MAPTTSHRRAB9ANPC1MAPK1
SCHEMBL27705161 0.82 TSHR (0.51) MAPTTSHRRAB9ANPC1MAPK1
SCHEMBL6297719 0.81 TDP1 (0.58) MAPTTSHRRAB9ANPC1MAPK1
SCHEMBL31283045 0.81 ALDH1A1 (0.49) MAPTTSHRRAB9ANPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230288804-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-14 US disclosed
US-9433618-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-09-06 US disclosed
US-20160015835-A1 LUCIFERIN DERIVATIVES FROM BICYCLIC REACTANTS AND AMINOTHIOL DERIVATIVES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-01-21 US disclosed
US-9173966-B2 Luciferin derivatives from bicyclic reactants and aminothiol derivatives and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-11-03 US disclosed
US-20130287699-A1 Luciferin Derivatives from Bicyclic Reactants and Aminothiol Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-10-31 US disclosed
WO-2011049221-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011049222-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011040629-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-07 WO disclosed
EP-1401427-A4 NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM AGOURON PHARMA (US) 2004-12-01 EP disclosed
EP-1401427-A2 NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM Agouron Pharmaceuticals, Inc. (US) 2004-03-31 EP disclosed
WO-2002098363-A2 NON-PEPTIDE GnRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM AGOURON PHARMACEUTICALS, INC. (US) 2002-12-12 WO disclosed
US-4171425-A ANIONIC CATALYST, 2-PYRROLIDONE OR E-CAPROLACTAM CHEVRON RESEARCH COMPANY (US) 1979-10-16 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 (2 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-20130287699-A1 Luciferin Derivatives from Bicyclic Reactants and Aminothiol Derivatives and Methods of Use Thereof GFPT1, QPCT, GLB1 MAPT 3324/4885TSHR 3747/4885RAB9A 4461/4885
US-20160015835-A1 LUCIFERIN DERIVATIVES FROM BICYCLIC REACTANTS AND AMINOTHIOL DERIVATIVES AND METHODS OF USE THEREOF GFPT1, QPCT, GLB1 MAPT 3324/4885TSHR 3747/4885RAB9A 4461/4885

“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.