SCHEMBL514589

SCHEMBL514589

[CH2]C(=O)c1ccccc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.65
CES1 P23141 3/20 0.65
ALDH1A1 P00352 3/20 0.60
ALOX15 P16050 1/20 0.60
GAA P10253 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPC1 O15118 3/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 1/20 0.50
PTPN1 P18031 1/20 0.48
ERCC5 P28715 1/20 0.48
FEN1 P39748 1/20 0.48
BCHE P06276 1/20 0.48
LMNA P02545 1/20 0.47
ALB P02768 1/20 0.45
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2090285 0.81 CES2 (0.68) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL30293901 0.79 CES2 (0.71) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL2156696 0.79 CES2 (1.00) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL250099 0.79 CES2 (0.71) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL31574193 0.77 CES2 (0.68) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL97828 0.77 CES2 (0.68) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL30968201 0.77 CES2 (0.68) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL2164455 0.77 CES2 (0.68) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL5180748 0.77 CES2 (0.68) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL29362443 0.77 CES2 (0.68) CES2CES1ALDH1A1ALOX15GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
CN-111727185-A Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances 拜耳公司 2020-09-29 CN claimed
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-12 US claimed
JP-5194443-A None JP disclosed
CN-113149883-B Process for preparing pyrrole compounds 武田药品工业株式会社 2024-04-02 CN disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
CN-113149883-A Process for preparing azole compounds 武田药品工业株式会社 2021-07-23 CN disclosed
CN-113121399-A Process for preparing azole compounds 武田药品工业株式会社 2021-07-16 CN disclosed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP disclosed
CN-111727185-A Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances 拜耳公司 2020-09-29 CN disclosed
CN-1216530-A Ethylene derivatives and pesticides containing the same NISSAN CHEMICAL IND LTD (JP) 1999-05-12 CN disclosed
EP-0913392-A1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-05-06 EP disclosed
JP-H05194443-A PRODUCTION OF 6-FLUOROBENZISOTHIAZOLES AND INTERMEDIATE THEREFOR HOECHST ROUSSEL PHARMACEUT INC 1993-08-03 JP disclosed
US-4861801-A Treatment of depression by using a fluorophenacylamine derivative Lafon, Laboratoire L. (FR) 1989-08-29 US disclosed
US-4835315-A Fluorophenacyl-amine derivatives and application thereof in therapeutics LABORATOIRE L. LAFON (FR) 1989-05-30 US disclosed
US-4438277-A Hydronaphthalene derivatives SANKYO COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4361515-A Antihyperlipemic dihydro-ML-236B derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1982-11-30 US disclosed
EP-0060954-A1 Derivatives of fluorophenacyl amines and their therapeutic use LABORATOIRE L. LAFON Société anonyme dite: (FR) 1982-09-29 EP 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 (2 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS CES2 681/4885CES1 1070/4885ALDH1A1 201/4885
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES DDT, HPD, PAH CES2 858/4885CES1 859/4885ALDH1A1 401/4885

“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.