SCHEMBL266456

SCHEMBL266456

CC(=NO)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
NQO2 P16083 1/20 0.44
SRD5A2 P31213 1/20 0.44
MTOR P42345 2/20 0.43
CA9 Q16790 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
GSK3B P49841 2/20 0.42
PTPN1 P18031 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
PLAU P00749 1/20 0.41
HTR3A P46098 1/20 0.41

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
SCHEMBL4022029 1.00 CES2 (0.50) CES2CES1NR4A1NR4A2NR4A3
SCHEMBL8309008 0.94 KIF11 (0.50) CES2CES1NR4A1NR4A2NR4A3
Trifluoromethylbenzene SCHEMBL28068069 0.86 ALDH1A1 (0.54) CES2NR4A1NR4A2NR4A3CA9
SCHEMBL17574261 0.81 CES2 (0.48) CES2CES1NR4A1NR4A2NR4A3
SCHEMBL28127817 0.81 CES2 (0.48) CES2CES1NR4A1NR4A2NR4A3
SCHEMBL12360950 0.81 CA9 (0.52) CA9ALDH1A1LMNARAB9A
SCHEMBL14298196 0.81 CA9 (0.52) CA9ALDH1A1LMNARAB9A
SCHEMBL11620296 0.80 CA9 (0.44) NR4A1NR4A2NR4A3CA9ALDH1A1
SCHEMBL4833231 0.80 CA9 (0.55) SRD5A2CA9ALDH1A1LMNARAB9A
SCHEMBL4833241 0.80 CA9 (0.55) SRD5A2CA9ALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574135-B 4-aryl-5-thioether-2-difluoromethyl oxazole, and derivatives and synthesis method thereof 湖南工程学院 2022-09-23 CN claimed
CN-110669070-B Synthesis method of O- (dialkyl phosphinic group) ketoxime 成都理工大学 2021-08-27 CN claimed
CN-112574135-A 4-aryl-5-thioether-2-difluoromethyl oxazole, and derivatives and synthesis method thereof 湖南工程学院 2021-03-30 CN claimed
CN-110669070-A Synthesis method of O- (dialkyl phosphinic group) ketoxime 成都理工大学 2020-01-10 CN claimed
US-11834420-B2 Preparation method of pyrimidinylthio-benzoate oxime ester compound and application thereof as herbicide Changzhou University (CN) 2023-12-05 US disclosed
CN-113735773-B 2, 3-dihydro-1, 2-diazacyclobutene oxynitride and preparation method thereof 成都大学 2023-05-19 CN disclosed
CN-110642748-B O- (2-trifluoromethyl-2-hydroxyethyl) oxime ether derivative and synthetic method and application thereof 华南理工大学 2023-03-31 CN disclosed
CN-112574135-B 4-aryl-5-thioether-2-difluoromethyl oxazole, and derivatives and synthesis method thereof 湖南工程学院 2022-09-23 CN disclosed
CN-110317177-B Preparation method of pyrimidine salicylic acid oxime ester compound and application of pyrimidine salicylic acid oxime ester compound as herbicide 常州大学 2022-05-17 CN disclosed
CN-109651191-B Difluoromethyl oxime ether derivative and synthetic method thereof 华南理工大学 2021-11-19 CN disclosed
CN-110669070-B Synthesis method of O- (dialkyl phosphinic group) ketoxime 成都理工大学 2021-08-27 CN disclosed
US-20210221773-A1 Preparation Method of Pyrimidinylthio-benzoate Oxime Ester Compound and Application thereof as Herbicide Changzhou University (CN) 2021-07-22 US disclosed
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES 2005-05-26 US disclosed
EP-1478363-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2004-11-24 EP disclosed
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor ABBVIE INC. 2004-10-21 US disclosed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 US disclosed
WO-2003070247-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2003-08-21 US disclosed
EP-0658547-B1 N-pyrazolyl carbamate derivative, agricultural/horticultural fungicide containing the same as active ingredient and production intermediate thereof MITSUBISHI CHEM CORP (JP) 1998-03-11 EP disclosed
EP-0658547-A1 N-pyrazolyl carbamate derivative, agricultural/horticultural fungicide containing the same as active ingredient and production intermediate thereof MITSUBISHI CHEMICAL CORPORATION (JP) 1995-06-21 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 (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-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 CES2 3942/4885CES1 1711/4885NR4A1 146/4885
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 CES2 3712/4885CES1 1557/4885NR4A1 155/4885
US-11834420-B2 Preparation method of pyrimidinylthio-benzoate oxime ester compound and application thereof as herbicide ADH1C, ADH1A, AQP4 CES2 1236/4885CES1 1752/4885NR4A1 3372/4885
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor TRPV1, TMEM109, GPR55 CES2 3709/4885CES1 1763/4885NR4A1 138/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 CES2 3701/4885CES1 1819/4885NR4A1 160/4885
US-20210221773-A1 Preparation Method of Pyrimidinylthio-benzoate Oxime Ester Compound and Application thereof as Herbicide ADH1C, ADH1A, AQP4 CES2 1210/4885CES1 1867/4885NR4A1 3412/4885

“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.