SCHEMBL1097495

SCHEMBL1097495

Cc1cc(C)cc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 1.00
ACHE P22303 2/20 0.60
HSD17B10 Q99714 1/20 0.56
CYP19A1 P11511 1/20 0.55
ALDH1A1 P00352 5/20 0.50
HTT P42858 3/20 0.50
GPR35 Q9HC97 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 3/20 0.46
POLB P06746 1/20 0.46
GALR3 O60755 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL635130 0.94 TSHR (0.90) TSHRACHEHSD17B10CYP19A1ALDH1A1
SCHEMBL1396 0.89 TSHR (0.78) TSHRACHEHSD17B10CYP19A1ALDH1A1
SCHEMBL3844920 0.84 TSHR (0.71) TSHRACHEHSD17B10CYP19A1ALDH1A1
SCHEMBL2381051 0.84 TSHR (0.71) TSHRACHEHSD17B10CYP19A1ALDH1A1
SCHEMBL5201173 0.84 TSHR (0.71) TSHRACHEHSD17B10CYP19A1ALDH1A1
SCHEMBL5289451 0.84 TSHR (0.71) TSHRACHEHSD17B10CYP19A1ALDH1A1
SCHEMBL31055057 0.84 TSHR (0.71) TSHRACHEHSD17B10CYP19A1ALDH1A1
SCHEMBL16959208 0.84 TSHR (0.71) TSHRACHEHSD17B10CYP19A1ALDH1A1
SCHEMBL29277770 0.84 TSHR (0.71) TSHRACHEHSD17B10CYP19A1ALDH1A1
SCHEMBL810499 0.84 TSHR (0.71) TSHRACHEHSD17B10CYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117160452-B Supported iridium-indium bimetallic catalyst for aromatic nitro reduction methylation and preparation method and application thereof 浙江大学衢州研究院 2025-04-25 CN claimed
CN-112724349-B Polymer and use thereof 立邦涂料(中国)有限公司 2024-07-05 CN claimed
CN-116693433-B Synthesis method of alkyl substituted thiophenol 济南悟通生物科技有限公司 2024-04-16 CN claimed
CN-117160452-A Supported iridium-indium bimetallic catalyst for aromatic nitro reduction methylation and preparation method and application thereof 浙江大学衢州研究院 2023-12-05 CN claimed
CN-114507252-B Novel method for synthesizing arylsilane compound 广西大学 2023-10-27 CN claimed
CN-116693433-A Synthesis method of alkyl substituted thiophenol 济南悟通生物科技有限公司 2023-09-05 CN claimed
CN-113019393-B Platinum nano catalyst, preparation method thereof and method for synthesizing aromatic amine by selective hydrogenation of aromatic nitro compound 郑州轻工业大学 2023-07-04 CN claimed
CN-113019393-A Platinum nano catalyst, preparation method thereof and method for synthesizing aromatic amine by selective hydrogenation of aromatic nitro compound 郑州轻工业大学 2021-06-25 CN claimed
US-10786805-B2 Cadmium sulfide quantum dots NORTHWESTERN UNIVERSITY (US) 2020-09-29 US claimed
CN-107118161-B Synthesis method of 2-n-propyl-4-methylbenzimidazole-6-carboxylic acid 湖北工业大学 2019-12-31 CN claimed
US-20160288106-A1 CADMIUM SULFIDE QUANTUM DOTS UNITED STATES DEPARTMENT OF ENERGY 2016-10-06 US claimed
WO-2016153989-A1 CADMIUM SULFIDE QUANTUM DOTS NORTHWESTERN UNIVERSITY (US) 2016-09-29 WO claimed
CN-105399632-A Synthetic method for 1,5-bis(chloromethyl)-3-fluorobenzene UNIV CHANGZHOU 2016-03-16 CN claimed
US-7595424-B2 Method for producing aromatic amines or aliphatic amino alcohols BASF AKTIENGESELLSCHAFT (DE) 2009-09-29 US claimed
CN-100509750-C Process for continuously preparing nitro-xylene isomer monomer GANSU YINGGUANG CHEMICAL INDUS (CN) 2009-07-08 CN claimed
CN-1944393-A Process for continuously preparing nitro-xylene isomer monomer YINGUANG CHEMICAL INDUSTRY GRO (CN) 2007-04-11 CN claimed
EP-1037873-B1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES CONSORTIUM ELEKTROCHEM IND (DE) 2001-08-22 EP claimed
US-6211410-B1 PARTIALLY HYDROGENATING ORGANIC NITRO COMPOUND IN PRESENCE OF ORGANIC BASE OR AMMONIA, TRIVALENT PHOSPHORUS COMPOUND AND HYDROGENATION CATALYST Consortium für elektrochemische Industrie GmbH (DE) 2001-04-03 US claimed
EP-1037873-A1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES Consortium für elektrochemische Industrie GmbH (DE) 2000-09-27 EP claimed
WO-1999028289-A1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES Consortium für elektrochemische Industrie GmbH (DE) 1999-06-10 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-10786805-B2 Cadmium sulfide quantum dots AS3MT, TST, SQOR TSHR 2865/4885ACHE 689/4885HSD17B10 1916/4885

“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.