SCHEMBL6680919

SCHEMBL6680919

CC(C)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
LOXL2 Q9Y4K0 1/20 0.52
KCNJ1 P48048 5/20 0.51
KCNH2 Q12809 5/20 0.51
HRH3 Q9Y5N1 1/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
IDO1 P14902 2/20 0.47
ACHE P22303 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL13875031 0.89 TSHR (0.55) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL10695276 0.85 TSHR (0.59) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL10695280 0.85 TSHR (0.59) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL8855359 0.85 TSHR (0.55) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL27847930 0.81 TSHR (0.54) TSHRLOXL2KCNJ1KCNH2ALDH1A1
SCHEMBL18638414 0.81 TSHR (0.50) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL3292782 0.81 TSHR (0.75) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL5715396 0.80 LOXL2 (0.55) TSHRLOXL2KCNJ1KCNH2ALDH1A1
SCHEMBL11135899 0.80 CHRM2 (0.57) TSHRKCNJ1KCNH2ALDH1A1LMNA
SCHEMBL5661624 0.79 TSHR (0.61) TSHRLOXL2KCNJ1KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9879043-B1 Synthesis of non-natural cofactor analogs of S-adenosyl-L-methionine using methionine adenosyltransferase UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2018-01-30 US disclosed
US-9034850-B2 Gonadotropin releasing hormone receptor antagonist, preparation method thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-05-19 US disclosed
US-8673586-B2 Compounds that interact with kinases ALCHEMIA LIMITED (AU) 2014-03-18 US disclosed
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same SK CHEMICALS CO. LTD. (KR) 2013-05-30 US disclosed
US-20130011852-A1 COMPOUNDS THAT INTERACT WITH KINASES ALCHEMIA LIMITED (AU) 2013-01-10 US disclosed
US-20080176815-A1 Compounds that interact with kinases ALCHEMIA LIMITED (AU) 2008-07-24 US disclosed
US-7291623-B2 Compounds that interact with kinases ALCHEMIA LIMITED (AU) 2007-11-06 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0824099-B1 Substituted carboxanilide derivative and plant disease control agent comprising same as active ingredient MITSUI CHEMICALS INC (JP) 2001-11-07 EP disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-5965774-A CONTROLLING PLANT DISEASES AGAINST BOTRYTIS CINEREA, POWDERY MILDEW, PYRICULARIA ORYZAE OF RICE PLANT MITSUI CHEMICALS, INC. (JP) 1999-10-12 US disclosed
US-5914344-A Substituted carboxanilide derivative and plant disease control agent comprising same as active ingredient MITSUI CHEMICALS, INC. (JP) 1999-06-22 US disclosed
EP-0824099-A1 Substituted carboxanilide derivative and plant disease control agent comprising same as active ingredient MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-02-18 EP 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-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same GNRHR, GHRHR, LHCGR TSHR 42/4885LOXL2 4017/4885KCNJ1 2548/4885
US-20080176815-A1 Compounds that interact with kinases MAP3K6, MAP3K20, MAP4K2 TSHR 3479/4885LOXL2 3230/4885KCNJ1 1854/4885

“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.