SCHEMBL2175953

SCHEMBL2175953

Oc1ccc(C(O)C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.65
ESR2 Q92731 10/20 0.65
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
TAAR1 Q96RJ0 3/20 0.43
HIF1A Q16665 3/20 0.43
NFKB1 P19838 2/20 0.43
HTR3A P46098 1/20 0.43
TSHR P16473 1/20 0.43
ALOX15 P16050 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
APEX1 P27695 1/20 0.41
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
THPO P40225 2/20 0.40
BLM P54132 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL8988146 0.93 ESR1 (0.58) ESR1ESR2PDCD1CD274HTR3A
SCHEMBL14593355 0.89 ESR1 (0.48) ESR1ESR2KDM4EALDH1A1
SCHEMBL1272266 0.80 NR1I2 (0.41) ESR1ESR2KDM4ELMNAALDH1A1
SCHEMBL1272903 0.80 NR1I2 (0.41) ESR1ESR2KDM4ELMNAALDH1A1
SCHEMBL1273068 0.80 NR1I2 (0.41) ESR1ESR2KDM4ELMNAALDH1A1
SCHEMBL3682920 0.79 ESR1 (1.00) ESR1ESR2PDCD1CD274TAAR1
SCHEMBL24408977 0.78 PTPN5 (0.43) ESR1ESR2HIF1AKDM4ELMNA
SCHEMBL24408950 0.78 PTPN5 (0.43) ESR1ESR2HIF1AKDM4ELMNA
SCHEMBL24397778 0.78 CES2 (0.57) ESR1ESR2TSHRALDH1A1KIF11
SCHEMBL21507928 0.78 ESR1 (0.39) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144541-A1 Process for preparing alpha-halogenated retones RHODIA CHIMIE (FR) 2003-07-31 US claimed
EP-1250303-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2002-10-23 EP claimed
WO-2001055067-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2001-08-02 WO claimed
US-12435185-B2 Method for producing 1,1,1-trifluoro-2,2-bisarylethane, and 1,1,1-trifluoro-2,2-bisarylethane CENTRAL GLASS COMPANY, LIMITED (JP) 2025-10-07 US disclosed
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-10-26 US disclosed
EP-4186896-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2023-05-31 EP disclosed
US-20220106444-A1 Method for Producing 1,1,1-Trifluoro-2,2-Bisarylethane, and 1,1,1-Trifluoro-2,2-Bisarylethane CENTRAL GLASS COMPANY, LIMITED (JP) 2022-04-07 US disclosed
CN-113396137-A Method for producing 1,1, 1-trifluoro-2, 2-bisarylethane, and 1,1, 1-trifluoro-2, 2-bisarylethane 中央硝子株式会社 2021-09-14 CN disclosed
WO-2020162408-A1 METHOD FOR PRODUCING 1,1,1-TRIFLUORO-2,2-BISARYLETHANE, AND 1,1,1-TRIFLUORO-2,2-BISARYLETHANE セントラル硝子株式会社 2020-08-13 WO disclosed
US-20180085359-A1 USE OF CHELATORS OF DIVALENT CATIONS TO PROMOTE NERVE REGENERATION CHILDREN'S MEDICAL CENTER CORPORATION (US) 2018-03-29 US disclosed
US-20180085359-A1 USE OF CHELATORS OF DIVALENT CATIONS TO PROMOTE NERVE REGENERATION CHILDREN'S MEDICAL CENTER CORPORATION (US) 2018-03-29 US disclosed
US-20030144541-A1 Process for preparing alpha-halogenated retones RHODIA CHIMIE (FR) 2003-07-31 US disclosed
US-20030144524-A1 With an aromatic derivative carrying at least one hydroxyl functional group, wherein the electron-withdrawing group present on the carbonyl compound is selected from fluoroalkyl derivatives, esters, including orthoesters, and nitriles and RHODIA CHIMIE, FRANCE 2003-07-31 US disclosed
US-6541674-B2 Electron-withdrawing group present on carbonyl compound is selected from fluoroalkyl derivatives, esters, including orthoesters, and nitrites and condensation is carried out in basic medium RHODIA CHIMIE (FR) 2003-04-01 US disclosed
EP-1250303-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2002-10-23 EP disclosed
WO-2001055067-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2001-08-02 WO disclosed
US-20010004670-A1 Process for the condensation of a carbonyl compound with an aromatic derivative in a basic medium RHODIA CHIMIE (FR) 2001-06-21 US disclosed
EP-1100785-A1 SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES Aventis CropScience GmbH (DE) 2001-05-23 EP disclosed
US-6197729-B1 COMBATING PEST WHICH COMPRISES APPLYING TO PEST OR ITS LOCUS PESTICIDAL CYCLOHEXYLAMINOPYRIMIDINNE COMPOUND HOECHST SCHERING AGREVO (DE) 2001-03-06 US disclosed
WO-2000007998-A1 SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES AVENTIS CROPSCIENCE GMBH (DE) 2000-02-17 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 (7 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-20220106444-A1 Method for Producing 1,1,1-Trifluoro-2,2-Bisarylethane, and 1,1,1-Trifluoro-2,2-Bisarylethane NAF1, FXR1, AFF1 ESR1 4737/4885ESR2 3744/4885PDCD1 3760/4885
US-20180085359-A1 USE OF CHELATORS OF DIVALENT CATIONS TO PROMOTE NERVE REGENERATION GAP43, NGF, SMN1; SMN2 ESR1 4776/4885ESR2 4485/4885PDCD1 2828/4885
US-12435185-B2 Method for producing 1,1,1-trifluoro-2,2-bisarylethane, and 1,1,1-trifluoro-2,2-bisarylethane NAF1, FXR1, AFF1 ESR1 4737/4885ESR2 3744/4885PDCD1 3760/4885
US-20010004670-A1 Process for the condensation of a carbonyl compound with an aromatic derivative in a basic medium NCAPH, ODC1, NCAPD2 ESR1 1877/4885ESR2 1668/4885PDCD1 3738/4885
US-20030144524-A1 With an aromatic derivative carrying at least one hydroxyl functional group, wherein the electron-withdrawing group present on the carbonyl compound is selected from fluoroalkyl derivatives, esters, including orthoesters, and nitriles and ECE2, HCN4, ETV6 ESR1 107/4885ESR2 194/4885PDCD1 3089/4885
US-20030144541-A1 Process for preparing alpha-halogenated retones ADH1A, ADH1C, RER1 ESR1 1300/4885ESR2 765/4885PDCD1 3152/4885
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF PTPRF, PTPRCAP, PTPRJ ESR1 3361/4885ESR2 1514/4885PDCD1 1454/4885

“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.