SCHEMBL173199

SCHEMBL173199

CCC(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
MAPT P10636 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
PHLPP2 Q6ZVD8 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HSD17B10 Q99714 2/20 0.48
ACHE P22303 1/20 0.48
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL16806060 1.00 ALDH1A1 (0.50) ALDH1A1KCNJ1KCNH2MAPTL3MBTL1
SCHEMBL16806066 1.00 ALDH1A1 (0.50) ALDH1A1KCNJ1KCNH2MAPTL3MBTL1
SCHEMBL21660622 0.91 ALDH1A1 (0.56) ALDH1A1KCNJ1KCNH2MAPTL3MBTL1
SCHEMBL6558724 0.90 HSPB1 (0.53) ALDH1A1KCNJ1KCNH2MAPTMAPK1
SCHEMBL19788211 0.85 KCNJ1 (0.48) ALDH1A1KCNJ1KCNH2MAPTL3MBTL1
SCHEMBL10854988 0.82 KCNJ1 (0.49) ALDH1A1KCNJ1KCNH2MAPTL3MBTL1
SCHEMBL16806400 0.82 KCNJ1 (0.49) ALDH1A1KCNJ1KCNH2MAPTL3MBTL1
SCHEMBL9805956 0.82 KCNJ1 (0.49) ALDH1A1KCNJ1KCNH2MAPTL3MBTL1
SCHEMBL6554242 0.82 ALDH1A1 (0.53) ALDH1A1KCNJ1KCNH2MAPTL3MBTL1
SCHEMBL6554390 0.82 LOXL2 (0.52) ALDH1A1KCNJ1KCNH2MAPTL3MBTL1

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11191752-B2 Compounds and methods of treating retinal degeneration CASE WESTERN RESERVE UNIVERSITY (US) 2021-12-07 US disclosed
US-10934303-B2 Aryl ethene derivative and pharmaceutical composition containing same as active ingredient DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-03-02 US disclosed
US-20200230119-A1 COMPOUNDS AND METHODS OF TREATING RETINAL DEGENERATION CASE WESTERN RESERVE UNIVERSITY 2020-07-23 US disclosed
CN-106995374-B Method for preparing nitroaromatic acid/nitro alpha-aryl alcohol by oxidizing substituted alkyl nitrobenzene with oxygen 浙江工业大学 2019-11-29 CN disclosed
US-20190161490-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT NOVMETAPHARMA CO., LTD. (KR) 2019-05-30 US disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 US disclosed
US-9982068-B2 Redox active polymers and colloidal particles for flow batteries THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-05-29 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-9872911-B2 Alpha-aminoamidine polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-01-23 US disclosed
US-9785011-B2 Liquid crystal display having improved wavelength dispersion characteristics AKRON POLYMER SYSTEMS (US) 2017-10-10 US disclosed
US-20080241427-A1 Optical retardation compensation film having positive C-plate and at least one negative C-plate; LCD device; optical switches and waveguides AKRON POLYMER SYSTEMS 2008-10-02 US disclosed
US-20080241428-A1 Optical compensation films with disk groups for liquid crystal display AKRON POLYMER SYSTEMS 2008-10-02 US disclosed
US-20080239491-A1 Optical compensation films having positive birefringence for liquid crystal display AKRON POLYMER SYSTEMS 2008-10-02 US disclosed
US-20080241745-A1 Mixture of alkali soluble polymer, crosslinking agent, acid generator ; radiation with actinic radiation; quaternary ammonium compound FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
WO-2007064861-A2 ASYMMETRIC FRIEDEL-CRAFTS ALKYLATIONS CATALYZED BY BYFUNCTIONAL CINCHONA ALKALOIDS BRANDEIS UNIVERSITY (US) 2007-06-07 WO 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-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-5711020-A BIODEGRADATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ENVIRONMENTAL PROTECTION AGENCY (US) 1998-01-20 US disclosed
US-3947434-A 9-(P-phenylazoanilino)-7-methyl-1H-imidazo[4,5-f]quinolines MORTON-NORWICH PRODUCTS, INC. (US) 1976-03-30 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 (6 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-20200230119-A1 COMPOUNDS AND METHODS OF TREATING RETINAL DEGENERATION PDE6A, PDE6H, PDE6D ALDH1A1 1072/4885KCNJ1 2293/4885KCNH2 1922/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 ALDH1A1 2970/4885KCNJ1 4321/4885KCNH2 2769/4885
US-20190161490-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ESRRG, ESR2, ESR1 ALDH1A1 262/4885KCNJ1 2751/4885KCNH2 3525/4885
US-11191752-B2 Compounds and methods of treating retinal degeneration PDE6A, PDE6H, PDE6D ALDH1A1 1072/4885KCNJ1 2293/4885KCNH2 1922/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 ALDH1A1 2705/4885KCNJ1 3843/4885KCNH2 4127/4885
US-10934303-B2 Aryl ethene derivative and pharmaceutical composition containing same as active ingredient ESRRG, ESR1, ESR2 ALDH1A1 263/4885KCNJ1 2965/4885KCNH2 3592/4885

“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.