SCHEMBL1999868

SCHEMBL1999868

Fc1ccccc1C(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
TDO2 P48775 2/20 0.43
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
ACHE P22303 1/20 0.39
KCNN4 O15554 1/20 0.39
CYP3A4 P08684 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
GAA P10253 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CNR2 P34972 1/20 0.37
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL29768740 1.00 IDO1 (0.43) IDO1TDO2CES2CES1ACHE
SCHEMBL1538924 0.81 GABRA1 (0.35) IDO1TDO2CES2CES1KCNN4
SCHEMBL2066940 0.79 IDO1 (0.45) IDO1TDO2CES2CES1ACHE
SCHEMBL28823241 0.78 IDO1 (0.41) IDO1TDO2CES2CES1ACHE
SCHEMBL1503202 0.78 IDO1 (0.45) IDO1TDO2CES2CES1ACHE
SCHEMBL536229 0.78 CES2 (0.50) IDO1TDO2CES2CES1ACHE
SCHEMBL127093 0.78 IDO1 (0.41) IDO1TDO2CES2CES1ACHE
SCHEMBL16956757 0.78 CES2 (0.47) IDO1TDO2CES2CES1ACHE
SCHEMBL4219819 0.78 IDO1 (0.41) IDO1TDO2CES2CES1ACHE
SCHEMBL11602791 0.77 CES2 (0.54) IDO1TDO2CES2CES1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115819251-B Preparation method of (1R) -1- [3- (difluoromethyl) -2-fluorophenyl ] ethylamine 沧州普瑞东方科技有限公司 2024-04-09 CN claimed
CN-115819251-A Preparation method of (1R) -1- [3- (difluoromethyl) -2-fluorophenyl ] ethylamine 沧州普瑞东方科技有限公司 2023-03-21 CN claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
CN-111732569-B Liquid crystalline compound having dibenzothiophene ring, liquid crystal composition, and liquid crystal display element 捷恩智株式会社 2024-07-09 CN disclosed
CN-115819251-B Preparation method of (1R) -1- [3- (difluoromethyl) -2-fluorophenyl ] ethylamine 沧州普瑞东方科技有限公司 2024-04-09 CN disclosed
CN-115819251-B Preparation method of (1R) -1- [3- (difluoromethyl) -2-fluorophenyl ] ethylamine 沧州普瑞东方科技有限公司 2024-04-09 CN disclosed
CN-117263781-A Compound, liquid crystal composition and liquid crystal display element 捷恩智株式会社 2023-12-22 CN disclosed
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION 2023-12-14 US disclosed
CN-110300746-B Liquid crystalline compound, liquid crystal composition, and liquid crystal display element 捷恩智株式会社 2023-08-15 CN disclosed
CN-115819251-A Preparation method of (1R) -1- [3- (difluoromethyl) -2-fluorophenyl ] ethylamine 沧州普瑞东方科技有限公司 2023-03-21 CN disclosed
CN-115819251-A Preparation method of (1R) -1- [3- (difluoromethyl) -2-fluorophenyl ] ethylamine 沧州普瑞东方科技有限公司 2023-03-21 CN disclosed
US-7247355-B2 Liquid crystal compound having chroman ring, liquid crystal composition comprising the compound and liquid crystal display device comprising the composition CHISSO CORPORATION (JP) 2007-07-24 US disclosed
EP-1674550-A1 Liquid crystal compound having chroman ring, liquid crystal composition comprising the compound and liquid crystal display device comprising the composition CHISSO CORPORATION (JP) 2006-06-28 EP disclosed
US-20060131540-A1 Liquid crystal compound having chroman ring, liquid crystal composition comprising the compound and liquid crystal display device comprising the composition JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2006-06-22 US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
EP-1088221-A4 METHOD OF RESOLVING ANALYTES IN A FLUID CALIFORNIA INST OF TECHN (US) 2001-12-12 EP disclosed
EP-1088221-A1 METHOD OF RESOLVING ANALYTES IN A FLUID CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2001-04-04 EP disclosed
WO-1999061902-A1 METHOD OF RESOLVING ANALYTES IN A FLUID CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1999-12-02 WO disclosed
CN-1037058-C Herbicide composition and use thereof RHONE POULENC AGRICULTURE (GB) 1998-01-21 CN 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 (3 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-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS IDO1 1097/4885TDO2 1011/4885CES2 2005/4885
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS DGKA, DGKI, DGKG IDO1 4255/4885TDO2 2353/4885CES2 1570/4885
US-20060131540-A1 Liquid crystal compound having chroman ring, liquid crystal composition comprising the compound and liquid crystal display device comprising the composition CFH, RCC1, RCC2 IDO1 2403/4885TDO2 804/4885CES2 3269/4885

“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.