SCHEMBL59882

SCHEMBL59882

Fc1cccc(F)c1F.OBO

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.50
CES1 P23141 6/20 0.50
BCHE P06276 1/20 0.50
HPGD P15428 1/20 0.38
ALB P02768 1/20 0.36
ERN1 O75460 1/20 0.36
ACHE P22303 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC4 P56524 1/20 0.34
NFE2L2 Q16236 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
TTR P02766 1/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL180426 0.87
Methyl Alcohol SCHEMBL27837385 0.84 CES2 (0.52) CES2CES1BCHEHPGDALB
SCHEMBL20592890 0.84 CES2 (0.43) CES2CES1BCHEHPGDALB
Fluoride SCHEMBL28287723 0.83 CES2 (0.50) CES2CES1BCHEHPGDALB
SCHEMBL28011857 0.83 CES2 (0.50) CES2CES1BCHEHPGDALB
Ammonia Solution, Strong SCHEMBL27938961 0.83 CES2 (0.50) CES2CES1BCHEHPGDALB
Water SCHEMBL28100193 0.83 CES2 (0.50) CES2CES1BCHEHPGDALB
Magnesium SCHEMBL6436089 0.83 CES2 (0.50) CES2CES1BCHEHPGDALB
Hydrogen Sulfide SCHEMBL28308551 0.83 CES2 (0.50) CES2CES1BCHEHPGDALB
Hydrochloric Acid SCHEMBL27691382 0.83 CES2 (0.50) CES2CES1BCHEHPGDALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116916755-A Materials and methods for extending the shelf life of food products JP实验室公司 2023-10-20 CN claimed
CN-114230555-A Preparation method of chlorantraniliprole 江苏七洲绿色科技研究院有限公司 2022-03-25 CN disclosed
CN-113666827-B Synthetic method of fluxapyroxad intermediate 江苏七洲绿色科技研究院有限公司 2022-03-01 CN disclosed
CN-113666827-A Synthetic method of fluxapyroxad intermediate 江苏七洲绿色科技研究院有限公司 2021-11-19 CN disclosed
CN-105008378-B The manufacturing method of cross-coupling catalysts and aromatic compound 北兴化学工业株式会社 2018-05-18 CN disclosed
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-30 US disclosed
CN-105753644-A Method for preparing polyfluorobiphenyl compound through one-kettle technology 浙江九洲药业股份有限公司 2016-07-13 CN disclosed
EP-2349256-B1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP disclosed
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
CN-102702044-A Carbocyclic and heterocyclic arylsulfones as gamma secretase inhibitors SCHERING CORP 2012-10-03 CN disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 US disclosed
EP-2280000-A1 COMPOUND HAVING NPY Y5 RECEPTOR ANTAGONIST ACTIVITY Shionogi&Co., Ltd. (JP) 2011-02-02 EP disclosed
WO-2010045166-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
US-20100093788-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
US-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms ELI LILLY AND COMPANY (US) 2009-01-22 US disclosed
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display MERCK PATENT GMBH (DE) 2008-05-22 US disclosed
WO-2007123941-A2 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2007-11-01 WO disclosed
EP-1709021-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2006-10-11 EP disclosed
WO-2006079406-A1 MESOGENIC COMPOUNDS, LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2006-08-03 WO disclosed
WO-2005073204-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2005-08-11 WO 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 (5 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-20100093788-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS TRPM8, TRPV1, TRPM6 CES2 3531/4885CES1 3454/4885BCHE 3373/4885
US-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms GPER1, ESR1, HSD17B11 CES2 1734/4885CES1 621/4885BCHE 3410/4885
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK CES2 3130/4885CES1 4581/4885BCHE 3663/4885
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MTX1, S100A11, MCRS1 CES2 3481/4885CES1 3939/4885BCHE 3314/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CES2 2523/4885CES1 2978/4885BCHE 2136/4885

“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.