SCHEMBL463611

SCHEMBL463611

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ACHE P22303 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
PHLPP2 Q6ZVD8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
CES1 P23141 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
HSPB1 P04792 1/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 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
SCHEMBL11695567 0.84 HSD17B10 (0.54) ALDH1A1MAPTHSD17B10TDP1ACHE
SCHEMBL6823057 0.82 ALDH1A1 (0.48) ALDH1A1MAPTHSD17B10TDP1ACHE
SCHEMBL2853294 0.82 ALDH1A1 (0.48) ALDH1A1MAPTHSD17B10TDP1ACHE
SCHEMBL28248653 0.82 ALDH1A1 (0.48) ALDH1A1MAPTHSD17B10TDP1ACHE
SCHEMBL1047553 0.80 MAPT (0.70) ALDH1A1MAPTHSD17B10TDP1ACHE
SCHEMBL27909482 0.79 ALDH1A1 (0.72) ALDH1A1HSD17B10TDP1ACHETSHR
SCHEMBL22567 0.79 ALDH1A1 (0.72) ALDH1A1HSD17B10TDP1ACHETSHR
SCHEMBL11697720 0.79 ALDH1A1 (0.50) ALDH1A1MAPTHSD17B10TDP1ACHE
SCHEMBL18138449 0.78 ALDH1A1 (0.53) ALDH1A1MAPTHSD17B10TDP1ACHE
SCHEMBL11642537 0.78 CYP19A1 (0.56) ALDH1A1MAPTHSD17B10TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250250234-A1 FLUOROALCOHOLS AS CO-SOLVENTS FOR CHEMICAL SYNTHESIS AND METHODS FOR PRODUCING THE SAME UNIV MISSISSIPPI (US) 2025-08-07 US disclosed
CN-112424197-B Difluoromethyl-phenyltriazoles as modulators of GABA receptors 勃林格殷格翰国际公司 2025-04-22 CN disclosed
CN-116535327-B Method for improving stability of aromatic difluoromethyl compound in preparation and use 苏州源展材料科技有限公司 2025-03-14 CN disclosed
US-20240376120-A1 CAMPTOTHECIN COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI BEST-LINK BIOSCIENCE, LLC (CN) 2024-11-14 US disclosed
CN-117940432-A Camptothecins compound, preparation method and application thereof 上海弼领生物技术有限公司 2024-04-26 CN disclosed
CN-117865773-A Preparation method of difluoromethyl aromatic compound based on palladium-catalyzed decarbonylation coupling 大连理工大学 2024-04-12 CN disclosed
WO-2023201218-A2 FLUOROALCOHOLS AS CO-SOLVENTS FOR CHEMICAL SYNTHESIS AND METHODS FOR PRODUCING THE SAME UNIVERSITY OF MISSISSIPPI (US) 2023-10-19 WO disclosed
CN-116535327-A Method for improving stability of aromatic difluoromethyl compound in preparation and use 苏州源展材料科技有限公司 2023-08-04 CN disclosed
CN-115867277-A Novel fused heterocyclyl-carbohydrazone acyldinitrile compounds and use thereof 韩国科学技术研究院 2023-03-28 CN disclosed
EP-3823967-B1 DIFLUOROMETHYL-PHENYL TRIAZOLES AS GABA RECEPTOR MODULATORS BOEHRINGER INGELHEIM INT (DE) 2022-08-31 EP disclosed
CN-102153430-A Preparation method for fluoride aromatic organic compound JIANGSU WEIER CHEMICAL CO LTD 2011-08-17 CN disclosed
CN-102134175-A Preparation method of benzyl fluorine organic compound JIANGSU WEIER CHEMICAL CO LTD 2011-07-27 CN disclosed
WO-2008003443-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2008-01-10 WO disclosed
EP-0970938-A1 Preparation of 1,4-bis-(difluoromethyl)benzene AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-01-12 EP disclosed
US-4743703-A Herbicidal 4-fluoroalkyl-4'-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1988-05-10 US disclosed
US-4051168-A TO FORM FLUOROALKYL AROMATIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-09-27 US disclosed
US-4051168-A TO FORM FLUOROALKYL AROMATIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-09-27 US disclosed
US-RE29153-E HERBICIDES, INSECTICIDES MONSANTO COMPANY (US) 1977-03-15 US disclosed
US-3992378-A HYPNOTIC AGENTS ELI LILLY AND COMPANY (US) 1976-11-16 US disclosed
US-3962440-A Quinoxaline compounds as hypnotic agents ELI LILLY AND COMPANY (US) 1976-06-08 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 (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-20250250234-A1 FLUOROALCOHOLS AS CO-SOLVENTS FOR CHEMICAL SYNTHESIS AND METHODS FOR PRODUCING THE SAME HAO2, CYP2F1, FUCA2 ALDH1A1 168/4885MAPT 3852/4885HSD17B10 231/4885
US-20240376120-A1 CAMPTOTHECIN COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WASF2, LITAF ALDH1A1 795/4885MAPT 4266/4885HSD17B10 1590/4885

“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.