SCHEMBL3928482

SCHEMBL3928482

CCCCN(CCCC)OC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.41
CES1 P23141 7/20 0.39
CES2 O00748 5/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
EPHX1 P07099 1/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL5004257 0.96 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5344964 0.88 MLYCD (0.37) FAAHCES1CES2MEN1CYP1A2
SCHEMBL7024069 0.82 FAAH (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28708698 0.79 MLYCD (0.33) FAAHCES1CES2MEN1CYP1A2
SCHEMBL10890584 0.76 CA12 (0.43) CES1CES2CA12CA1CA9
SCHEMBL7704563 0.76 MLYCD (0.40)
SCHEMBL28778447 0.76 FAAH (0.44) FAAHCES1CES2MEN1CYP1A2
SCHEMBL886851 0.74 ALDH1A1 (0.44) FAAHCES1CES2HSD17B10CA12
SCHEMBL22436624 0.72 NAAA (0.43) CES1CES2CA12CA1CA9
SCHEMBL28095555 0.72 CA12 (0.40) CES1CES2CA12CA1CA9

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118763275-A Lithium ion battery electrolyte and preparation method thereof 合肥乾锐科技有限公司 2024-10-11 CN claimed
CN-114805289-B Preparation method of 1, 4-oxathia-3, 5-dialdehyde cyclohexadiene compound 昆明理工大学 2024-05-28 CN claimed
CN-114805289-A Preparation method of 1, 4-oxathia-3, 5-dialdehyde cyclohexadiene compound 昆明理工大学 2022-07-29 CN claimed
CN-118763275-A Lithium ion battery electrolyte and preparation method thereof 合肥乾锐科技有限公司 2024-10-11 CN disclosed
CN-118763275-A Lithium ion battery electrolyte and preparation method thereof 合肥乾锐科技有限公司 2024-10-11 CN disclosed
CN-114805289-B Preparation method of 1, 4-oxathia-3, 5-dialdehyde cyclohexadiene compound 昆明理工大学 2024-05-28 CN disclosed
CN-117015282-A Method for optimizing perovskite film, perovskite film obtained by method and application of perovskite film 极电光能有限公司 2023-11-07 CN disclosed
CN-115494167-A Method for realizing co-outflow of phosphorothioate oligonucleotide isomers in chromatographic analysis 南京金斯瑞生物科技有限公司 2022-12-20 CN disclosed
CN-114805289-A Preparation method of 1, 4-oxathia-3, 5-dialdehyde cyclohexadiene compound 昆明理工大学 2022-07-29 CN disclosed
EP-1809300-A4 METHOD FOR TREATING BACTERIAL INFECTIONS IN HORSES OR PIGS WITH TILMICOSIN IDEXX LAB INC (US) 2009-03-25 EP disclosed
US-7282487-B2 Method for treating bacterial infections in horses or pigs with tilmicosin IDEXX LABORATORIES (US) 2007-10-16 US disclosed
EP-1809300-A1 METHOD FOR TREATING BACTERIAL INFECTIONS IN HORSES OR PIGS WITH TILMICOSIN IDEXX Laboratories Inc (US) 2007-07-25 EP disclosed
WO-2006049739-A1 METHOD FOR TREATING BACTERIAL INFECTIONS IN HORSES OR PIGS WITH TILMICOSIN IDEXX LABORATORIES, INC. (US) 2006-05-11 WO disclosed
US-20060094669-A1 Salts of lipophilic acids, such as fatty acids, diacids, polycarboxylic acids and aromatic acids in a pharmaceutically acceptable solvent to form an injectable composition that precipitates when injected into water; improved pharmacokinetics IDEXX LABORATORIES 2006-05-04 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-20060094669-A1 Salts of lipophilic acids, such as fatty acids, diacids, polycarboxylic acids and aromatic acids in a pharmaceutically acceptable solvent to form an injectable composition that precipitates when injected into water; improved pharmacokinetics NRDC, PIGS, PPARD FAAH 998/4885CES1 3454/4885CES2 4259/4885

“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.