SCHEMBL241909

SCHEMBL241909

O=C(O)C(F)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.56
CYP2D6 P10635 1/20 0.56
LMNA P02545 3/20 0.54
MAPK1 P28482 1/20 0.54
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C19 P33261 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL28232530 1.00 SRC (0.56) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL28232476 1.00 SRC (0.56) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL28232458 0.97 SRC (0.54) SRCCYP2D6LMNAMAPK1CES2
Water SCHEMBL28031423 0.97 SRC (0.54) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL28233357 0.97 SRC (0.54) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL28307635 0.97 SRC (0.54) SRCCYP2D6LMNAMAPK1CES2
Ammonia Solution, Strong SCHEMBL15841783 0.97 SRC (0.54) SRCCYP2D6LMNAMAPK1CES2
Methane SCHEMBL10337825 0.93 LMNA (0.54) SRCCYP2D6LMNAMAPK1CES2
Methane SCHEMBL21835629 0.93 LMNA (0.54) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL11573233 0.86 PTGS2 (0.59) SRCCYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
CN-115939514-A Hydrolysis-resistant functional additive, preparation method thereof and application thereof in solid electrolyte 华南理工大学 2023-04-07 CN claimed
WO-2022099439-A1 PREPARATION METHOD FOR 2,4,5-TRIFLUOROPHENYLACETIC ACID 杭州臻挚生物科技有限公司 2022-05-19 WO claimed
CN-112851536-B Method for constructing amide bond by clicking pyrimidine condensing agent and application of method in amide and polypeptide synthesis 兰州大学 2022-02-25 CN claimed
US-11053457-B2 Cleaning composition for semiconductor substrate JSR CORPORATION (JP) 2021-07-06 US claimed
CN-106928044-B Preparation method of fluorophenylacetic acid 上海康鹏科技股份有限公司 2020-08-25 CN claimed
EP-3114715-B1 P-DOPING CROSS-LINKING OF ORGANIC HOLE TRANSPORTERS SIEMENS AG (DE) 2019-10-30 EP claimed
CN-108409622-B A kind of chiral alpha-fluorophenylacetic acid selenium ester type compound and its preparation and application 中国科学院福建物质结构研究所 2019-07-30 CN claimed
CN-109809383-A A kind of synthetic method of anti-cabbage black rot bacterium selenium carbon material 扬州大学 2019-05-28 CN claimed
CN-109742254-A A kind of efficient OLED micro-display device and manufacturing method 中国计量大学 2019-05-10 CN claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
EP-1373240-B1 RETINOID X RECEPTOR MODULATORS LILLY CO ELI (US) 2005-06-15 EP claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
US-20040167160-A1 Retinoid x receptor modulators LIGAND PHARMACEUTICALS INCORPORATED 2004-08-26 US claimed
EP-1373240-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-01-02 EP claimed
WO-2002071827-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2002-09-19 WO claimed
US-6403646-B1 ADMINISTERING PHENYLBUTYRIC ACID OR DERIVATIVES TO TREAT LIVER DISEASE AND EMPHYSEMA CAUSED BY PROTEASE INHIBITOR TYPE Z MUTATION; STIMULATES SECRETION WITHOUT INCREASING SYNTHESIS OF PROTEIN PERLMUTTER DAVID H (US) 2002-06-11 US claimed
EP-0099802-B1 THIENO(3,2-C) PYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE ELF SANOFI (FR) 1987-02-04 EP claimed
US-4411974-A FOR NEGATIVE TONERS XEROX CORPORATION (US) 1983-10-25 US claimed
US-4215044-A FLUORINATION OF AN UNSATURATED SILANOL COMPOUND WITH A PERHALOGENATED HYPOFLUORITE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-07-29 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 (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-20040167160-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB SRC 3762/4885CYP2D6 212/4885LMNA 2800/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 SRC 912/4885CYP2D6 1122/4885LMNA 2024/4885

“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.