SCHEMBL4171698

SCHEMBL4171698

O=C(O)C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.81
SRD5A2 P31213 1/20 0.62
LMNA P02545 2/20 0.58
MAOB P27338 1/20 0.55
KCNK3 O14649 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
P2RX1 P51575 1/20 0.54
POLB P06746 2/20 0.53
HPGD P15428 1/20 0.53
MAPT P10636 1/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KAT6A Q92794 1/20 0.51
PTGS1 P23219 1/20 0.50

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
SCHEMBL29923199 1.00 CES2 (0.81) CES2SRD5A2LMNAMAOBKCNK3
SCHEMBL3176325 0.90 CES2 (1.00) CES2SRD5A2LMNAMAOBKCNK3
SCHEMBL4848676 0.89 CES2 (0.89) CES2SRD5A2LMNAMAOBKCNK3
SCHEMBL8188025 0.85 CES2 (0.59) CES2SRD5A2LMNAMAOBKCNK3
SCHEMBL40186 0.84 SRD5A2 (0.77) CES2SRD5A2LMNAMAOBKCNK3
SCHEMBL29433907 0.84 SRD5A2 (0.77) CES2SRD5A2LMNAMAOBKCNK3
SCHEMBL935957 0.83 CES2 (0.79) CES2SRD5A2LMNAMAOBKCNK3
SCHEMBL11725067 0.83 CES2 (0.79) CES2SRD5A2LMNAMAOBKCNK3
Hydrochloric Acid SCHEMBL10387616 0.82 SRD5A2 (0.74) CES2SRD5A2LMNAMAOBKCNK3
SCHEMBL29208534 0.82 SRD5A2 (0.74) CES2SRD5A2LMNAMAOBKCNK3

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-111056890-B Method for preparing aryl ketone by free radical-free radical coupling reaction of ketoacid decarboxylation and fatty aldehyde decarbonylation based on iron catalysis 湘潭大学 2022-10-14 CN claimed
CN-111056890-A Method for preparing aryl ketone by free radical-free radical coupling reaction of ketoacid decarboxylation and fatty aldehyde decarbonylation based on iron catalysis 湘潭大学 2020-04-24 CN claimed
CN-108101856-A Acyl group substitutes the preparation method of pyrazine compounds 河南农业大学 2018-06-01 CN claimed
EP-0975584-B1 SYNTHESIS AND USE OF ALPHA-KETOAMIDE DERIVATIVES AND ARRAYS ARQULE INC (US) 2002-09-25 EP claimed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
CN-111056890-B Method for preparing aryl ketone by free radical-free radical coupling reaction of ketoacid decarboxylation and fatty aldehyde decarbonylation based on iron catalysis 湘潭大学 2022-10-14 CN disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-114409602-A Method for synthesizing alpha-keto acid by using oxalyl chloride and Grignard reagent as raw materials 武汉大学 2022-04-29 CN disclosed
WO-2021221169-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2021-11-04 WO disclosed
CN-109232282-B Synthetic method of 2-aminobenzophenone compound 新乡医学院 2021-03-02 CN disclosed
CN-111056890-A Method for preparing aryl ketone by free radical-free radical coupling reaction of ketoacid decarboxylation and fatty aldehyde decarbonylation based on iron catalysis 湘潭大学 2020-04-24 CN disclosed
WO-2008077646-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-03 WO disclosed
EP-0975584-A1 SYNTHESIS AND USE OF $g(a)-KETOAMIDE DERIVATIVES AND ARRAYS ARQULE, INC. (US) 2000-02-02 EP disclosed
WO-1998046559-A1 SYNTHESIS AND USE OF α-KETOAMIDE DERIVATIVES AND ARRAYS ARQULE, INC. (US) 1998-10-22 WO disclosed
EP-0386940-A1 6-Beta-(alpha-etherified oxymino)-acyl amino penicillins BEECHAM GROUP PLC (GB) 1990-09-12 EP disclosed
US-4296244-A (3-Trifluoromethylphenyl)-alpha-hydroxyacetic acid and process for preparation HOOKER CHEMICALS & PLASTICS CORP. (US) 1981-10-20 US disclosed
US-4268687-A Method of making methyl and ethyl esters of (3-trifluoromethylphenyl)-acetic acid HOOKER CHEMICALS & PLASTICS CORP. (US) 1981-05-19 US disclosed
US-4238413-A (3-Trifluoromethyl)-benzoyl cyanide and process for its production HOOKER CHEMICALS & PLASTICS CORP. (US) 1980-12-09 US disclosed
US-3969401-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC WILLIAM H. RORER, INC. (US) 1976-07-13 US 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 (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-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 CES2 4819/4885SRD5A2 1881/4885LMNA 4199/4885

“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.