SCHEMBL450228

SCHEMBL450228

Cc1c(F)cc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
CASP6 P55212 1/20 0.51
TPMT P51580 1/20 0.50
HCAR3 P49019 5/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
TTR P02766 1/20 0.43

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
SCHEMBL503451 0.87 TSHR (0.65) TSHRCASP6TPMTHCAR3LMNA
SCHEMBL30601650 0.86 LMNA (0.46) TSHRCASP6LMNAMAPTALDH1A1
SCHEMBL30601690 0.85 PARP1 (0.49) TSHRLMNAGAAMAPTALDH1A1
SCHEMBL26626574 0.85 PARP1 (0.49) TSHRLMNAGAAMAPTALDH1A1
SCHEMBL26626614 0.85 MEN1 (0.45) TSHRCASP6LMNAMAPTALDH1A1
SCHEMBL30601730 0.85 MEN1 (0.45) TSHRCASP6LMNAMAPTALDH1A1
SCHEMBL3582465 0.82 TSHR (0.64) TSHRCASP6TPMTHCAR3LMNA
SCHEMBL30158739 0.82 CASP6 (0.55) TSHRCASP6TPMTHCAR3LMNA
SCHEMBL2671510 0.82 VCAM1 (0.50) TPMTLMNAGAAMAPTALDH1A1
SCHEMBL4342619 0.81 GSK3B (0.45) TSHRLMNAGAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4344577-A1 COATED SILVER PRODUCTS AND METHODS FOR MAKING THE SAME Nexdot (FR) 2024-04-03 EP claimed
CN-117626039-A High-strength plastic multistage hybrid heterostructure titanium-based composite material and preparation method thereof 西安稀有金属材料研究院有限公司 2024-03-01 CN claimed
CN-116876057-A Titanium-aluminum composite part heat-cracking-resistant oxide film and preparation process thereof 东莞市慧泽凌化工科技有限公司 2023-10-13 CN claimed
CN-113020604-A High-strength wear-resistant high-temperature-resistant titanium-aluminum oxide alloy material and preparation method thereof 西安建筑科技大学 2021-06-25 CN claimed
CN-111020194-A Method for synthesizing titanium-aluminum alloy from waste lithium titanate anode and cathode powder 银隆新能源股份有限公司 2020-04-17 CN claimed
CN-104707622-B A kind of preparation method of selective acetylene hydrocarbon hydrogenation catalyst 中国石油化工股份有限公司 2017-08-22 CN claimed
US-9553157-B2 Diffusion-controlled oxygen depletion of semiconductor contact interface INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-01-24 US claimed
US-20160027889-A1 DIFFUSION-CONTROLLED OXYGEN DEPLETION OF SEMICONDUCTOR CONTACT INTERFACE INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-01-28 US claimed
US-9187511-B2 Titanium-aluminum alloy deposition with titanium-tetrahydroaluminate bimetallic molecules L'Air Liquide, Société Anonyme pour l'Etude et l'Exploitation des Procédés Georges Claude (FR) 2015-11-17 US claimed
CN-103201237-B Monolithic ceramic body with mixed-oxide edge region and metallic surface, method for the production thereof, and use thereof CERAMOSS GMBH (AT) 2015-09-30 CN claimed
US-20150270179-A1 DIFFUSION-CONTROLLED OXYGEN DEPLETION OF SEMICONDUCTOR CONTACT INTERFACE INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-09-24 US claimed
CN-104353443-A Method for preparing styrene catalyst by ethylbenzene dehydrogenation UNIV SHENYANG CHEMICAL TECH 2015-02-18 CN claimed
EP-1514852-B1 Transparent protective layer for an article SCHOTT AG (DE) 2014-11-19 EP claimed
US-20130295298-A1 TITANIUM-ALUMINUM ALLOY DEPOSITION WITH TITANIUM-TETRAHYDROALUMINATE BIMETALLIC MOLECULES L'AIR LIQUIDE, SOCIETE ANONYME POUR I'ETUDE ET I'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-07 US claimed
CN-103201237-A Monolithic ceramic body with mixed-oxide edge region and metallic surface, method for the production thereof, and use thereof CERAMOSS GMBH 2013-07-10 CN claimed
US-20130146134-A1 SOLAR CELL WITH NANOLAMINATED TRANSPARENT ELECTRODE AND METHOD OF MANUFACTURING THE SAME NATIONAL APPLIED RESEARCH LABORATORIES (TW) 2013-06-13 US claimed
CN-101864556-A High dielectric coefficient titanium-aluminum oxide film and preparation method and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2010-10-20 CN claimed
US-20060127699-A1 Protective layer and process and arrangement for producing protective layers MOELLE CHRISTOPH 2006-06-15 US claimed
US-20250313556-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS RETUNE PHARMA, INC. 2025-10-09 US disclosed
EP-0181588-A2 Alkyl-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids, process for their preparation, and antibacterial agents containing them BAYER AG (DE) 1986-05-21 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-20130295298-A1 TITANIUM-ALUMINUM ALLOY DEPOSITION WITH TITANIUM-TETRAHYDROALUMINATE BIMETALLIC MOLECULES TIAL1, TLL2, ACSL3 TSHR 2142/4885CASP6 1865/4885TPMT 1457/4885
US-20250313556-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIT, PRKCH, PRKCB TSHR 4310/4885CASP6 1330/4885TPMT 1549/4885

“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.