SCHEMBL96116

SCHEMBL96116

CC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.67
RXRA P19793 2/20 0.54
RXRB P28702 2/20 0.54
RXRG P48443 2/20 0.54
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
NOTUM Q6P988 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CA5A P35218 1/20 0.46
P2RX1 P51575 2/20 0.44
HIF1A Q16665 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PLD2 O14939 1/20 0.43
PLD1 Q13393 1/20 0.43
CES1 P23141 1/20 0.43
TACR1 P25103 1/20 0.42

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
Formaldehyde SCHEMBL459554 0.96 CES2 (0.61) CES2RXRARXRBRXRGAKR1C3
SCHEMBL12187542 0.92 CES2 (0.57) CES2RXRARXRBRXRGAKR1C3
SCHEMBL27186725 0.90 CES2 (0.55) CES2RXRARXRBRXRGAKR1C3
SCHEMBL29799797 0.90 CES2 (0.55) CES2RXRARXRBRXRGAKR1C3
SCHEMBL1198922 0.87 CES2 (0.52) CES2RXRARXRBRXRGAKR1C3
SCHEMBL31643321 0.87 CA5A (0.61) CES2RXRARXRBRXRGAKR1C3
SCHEMBL7786247 0.87 CES2 (0.52) CES2RXRARXRBRXRGAKR1C3
SCHEMBL13131605 0.87 CA5A (0.61) CES2RXRARXRBRXRGAKR1C3
SCHEMBL766077 0.86 NOTUM (0.67) CES2RXRARXRBRXRGAKR1C3
SCHEMBL4974165 0.86 CES2 (0.50) CES2RXRARXRBRXRGAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119926191-B Conjugated microporous organic solvent-resistant nanofiltration composite membrane and preparation method and application thereof 中山大学 2025-06-13 CN claimed
CN-119926191-A Conjugated microporous organic solvent-resistant nanofiltration composite membrane and preparation method and application thereof 中山大学 2025-05-06 CN claimed
CN-118459422-A Thiazole thiazolinone compound containing multiple halogen atoms and preparation method thereof 南京工业大学 2024-08-09 CN claimed
CN-118459420-A Thiazolinone compound containing multiple halogen atoms and preparation method thereof 南京工业大学 2024-08-09 CN claimed
US-20240243010-A1 INHIBITOR FOR SELECTIVELY DEPOSITING THIN FILM AND METHOD FOR SELECTIVELY DEPOSITING THIN FILM ADEKA CORPORATION (JP) 2024-07-18 US claimed
CN-115521946-B TiO (titanium dioxide)xMethod for synthesizing (R) -1- [3, 5-di (trifluoromethyl) ] phenethyl alcohol by using base photo-enzyme catalyst 浙江玖世生物科技有限公司 2024-06-21 CN claimed
CN-115386604-B Method for catalyzing and synthesizing R-3,5-BTPE by using infrared light driven carbon quantum dot based photo-enzyme catalyst 浙江玖世生物科技有限公司 2024-05-31 CN claimed
CN-114457125-B Method for synthesizing (R) -1- [3,5-bis (trifluoromethyl) phenyl ] ethylamine by coupling transaminase and alcohol dehydrogenase 浙江工业大学 2024-04-09 CN claimed
CN-117778341-A Immobilized carbonyl reductase based on protein tag self-assembly and application of immobilized carbonyl reductase in continuous catalysis preparation of aprepitant intermediate 浙江工业大学 2024-03-29 CN claimed
US-20230369039-A1 METHOD OF MANUFACTURING SEMICONDUCTOR DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-11-16 US claimed
EP-1409704-A2 METHOD FOR THE ENANTIOSELECTIVE REDUCTION OF A PROCHIRAL AROMATIC KETONE COMPRISING AT LEAST ONE TRIFLUOROMETHYL GROUP ON THE AROMATIC CYCLE RHODIA CHIMIE (FR) 2004-04-21 EP claimed
US-20040019243-A1 1,3-Bis(trifluoromethyl)benzene derivatives SYNPROTEC LIMITED (GB) 2004-01-29 US claimed
EP-1345878-A1 PROCESS FOR THE SYNTHESIS OF 1-(3,5-BIS(TRIFLUOROMETHYL)-PHENYL)ETHAN-1-ONE Merck & Co., Inc. (US) 2003-09-24 EP claimed
US-20030153760-A1 Treating 1-(3,5- bis(trifluoromethyl)phenyl)ethan-1-one with bis((pentamethylcyclopentadienyl)rhodium chloride) and (S,R)-cis-1-amino-2-hydroxy-indane in the presence of isopropanol MERCK & CO., INC. 2003-08-14 US claimed
EP-1334080-A1 1,3-BIS(TRIFLUOROMETHYL)BENZENE DERIVATIVES Synprotec Limited (GB) 2003-08-13 EP claimed
WO-2003004666-A2 METHOD FOR THE ENANTIOSELECTIVE REDUCTION OF A PROCHIRAL AROMATIC KETONE COMPRISING AT LEAST ONE TRIFLUOROMETHYL GROUP ON THE AROMATIC CYCLE RHODIA CHIMIE (FR) 2003-01-16 WO claimed
US-6504066-B1 Reduction of halogen containing carbocyclic ketones, to form chemical intermediates which are substance-P receptor antagonists useful as antiinflammatory and antiemetic agents and for treatment of psychological disorders MERCK & CO. INC. 2003-01-07 US claimed
WO-2002050009-A1 PROCESS FOR THE SYNTHESIS OF 1-(3,5-BIS(TRIFLUOROMETHYL)-PHENYL)ETHAN-1-ONE MERCK & CO., INC. (US) 2002-06-27 WO claimed
WO-2002024615-A1 1,3-BIS(TRIFLUOROMETHYL)BENZENE DERIVATIVES SYNPROTEC LIMITED (GB) 2002-03-28 WO claimed
US-6350915-B1 FORMING A GRIGNARD REAGENT AND REACTION WITH ACETIC ANHYDRIDE MERCK & CO., INC. 2002-02-26 US 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-20030153760-A1 Treating 1-(3,5- bis(trifluoromethyl)phenyl)ethan-1-one with bis((pentamethylcyclopentadienyl)rhodium chloride) and (S,R)-cis-1-amino-2-hydroxy-indane in the presence of isopropanol HTR1D, SIGMAR1, HTR1A CES2 772/4885RXRA 676/4885RXRB 843/4885

“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.