SCHEMBL2436243

SCHEMBL2436243

Cc1ccc(C(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
ALDH1A1 P00352 4/20 0.56
CYP3A4 P08684 2/20 0.56
RECQL P46063 1/20 0.56
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TRPA1 O75762 1/20 0.47
PTGS1 P23219 1/20 0.47
CACNA1C Q13936 1/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MYOC Q99972 1/20 0.47
HTT P42858 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
GRM8 O00222 1/20 0.45
GRM6 O15303 1/20 0.45
GRM4 Q14833 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
SCHEMBL15927423 0.87 TSHR (0.55) TSHRALDH1A1CYP3A4RECQLLMNA
SCHEMBL16313203 0.85 TSHR (0.53) TSHRALDH1A1CYP3A4RECQLLMNA
SCHEMBL16959578 0.85 TSHR (0.53) TSHRALDH1A1CYP3A4RECQLLMNA
SCHEMBL4434685 0.85 ALDH1A1 (0.53) TSHRALDH1A1CYP3A4RECQLLMNA
SCHEMBL12381771 0.85 MAPT (0.53) TSHRALDH1A1CYP3A4RECQLLMNA
SCHEMBL4547845 0.84 TSHR (0.55) TSHRALDH1A1CYP3A4LMNAHSD17B10
SCHEMBL27859134 0.82 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4RECQLLMNA
SCHEMBL27859132 0.82 TSHR (0.54) TSHRALDH1A1CYP3A4RECQLLMNA
SCHEMBL31212652 0.81 TSHR (0.57) TSHRALDH1A1CYP3A4RECQLLMNA
SCHEMBL20364501 0.81 PDK1 (0.55) TSHRALDH1A1CYP3A4LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 US claimed
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 US claimed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 US claimed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 US claimed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 US claimed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 EP claimed
WO-1994010557-A1 MEMBRANE MANUFACTURING METHOD PORTON DIAGNOSTICS, INC. (US) 1994-05-11 WO claimed
US-4233136-A Liquid membrane electrode NOVA BIOMEDICAL CORPORATION (US) 1980-11-11 US claimed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 US disclosed
US-11795174-B2 Anti-pain compound and preparation method thereof LUNAN PHARMACEUTICAL GROUP CORPORATION (CN) 2023-10-24 US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE OSAKA UNIVERSITY (JP) 2023-08-31 US disclosed
US-11712680-B2 Process for reducing aromatic nitro compounds with supported catalyst KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2023-08-01 US disclosed
US-4361473-A CROWN COMPOUNDS NOVA BIOMEDICAL CORPORATION (US) 1982-11-30 US disclosed
US-4314895-A Method of making liquid membrane electrode NOVA BIOMEDICAL CORPORATION (US) 1982-02-09 US disclosed
US-4303408-A EXTRACTION ZONE BEFORE INDICATOR ZONE EASTMAN KODAK COMPANY (US) 1981-12-01 US disclosed
EP-0033707-A1 Element for liquid analysis having interferent-removal zone and method for using same EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1981-08-12 EP disclosed
US-4233136-A Liquid membrane electrode NOVA BIOMEDICAL CORPORATION (US) 1980-11-11 US disclosed
US-3976639-A Intermediates for indoles HOFFMANN-LA ROCHE INC. (US) 1976-08-24 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-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS NR1H2, NR1H3, NR1D1 TSHR 187/4885ALDH1A1 3764/4885CYP3A4 1581/4885
US-11712680-B2 Process for reducing aromatic nitro compounds with supported catalyst ARG2, NDUFS5, NDUFS7 TSHR 2114/4885ALDH1A1 2712/4885CYP3A4 587/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 TSHR 156/4885ALDH1A1 289/4885CYP3A4 176/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 TSHR 156/4885ALDH1A1 289/4885CYP3A4 176/4885
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE ESR1, ECE1, ESYT1 TSHR 3456/4885ALDH1A1 722/4885CYP3A4 1179/4885
US-11795174-B2 Anti-pain compound and preparation method thereof OPRK1, OPRM1, OPRL1 TSHR 1955/4885ALDH1A1 1216/4885CYP3A4 382/4885

“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.