SCHEMBL21385010

SCHEMBL21385010

CC(=O)OCCCC(C)Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 1/20 0.43
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
TSHR P16473 2/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRNB2 P17787 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40
GALR3 O60755 2/20 0.39

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
SCHEMBL7547957 0.86
SCHEMBL204361 0.86 ALDH1A1 (0.61) ALDH1A1ALOX15CHRM5CHRM1CHRM3
SCHEMBL11223359 0.84 ALDH1A1 (0.54) ALDH1A1ALOX15CHRM5CHRM1CHRM3
SCHEMBL27328827 0.83 ALDH1A1 (0.52) ALDH1A1ALOX15CHRM5CHRM1CHRM3
SCHEMBL126613 0.82 ALDH1A1 (0.56) ALDH1A1ALOX15CHRM5CHRM1CHRM3
SCHEMBL25380744 0.80 ALDH1A1 (0.54) ALDH1A1ALOX15CHRM5CHRM1CHRM3
SCHEMBL8180021 0.80 ALDH1A1 (0.54) ALDH1A1ALOX15CHRM5CHRM1CHRM3
SCHEMBL2876274 0.80 ALDH1A1 (0.54) ALDH1A1ALOX15CHRM5CHRM1CHRM3
SCHEMBL31193578 0.79 NAAA (0.53) ALDH1A1GAA
SCHEMBL8619437 0.78 ALDH1A1 (0.52) ALDH1A1ALOX15CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409480-A1 HALOALKYL ALKOXYMETHYL ETHER COMPOUND, AND PROCESS FOR PREPARING 4,6,8,10,16-PENTAMETHYLDOCOSANE THEREFROM AND FOR PREPARING SYNTHETIC INTERMEDIATE THEREFOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-12-12 US disclosed
US-20240400484-A1 HALOALKYL ALKOXYMETHYL ETHER COMPOUND, AND PROCESS FOR PREPARING 13,15-DIMETHYLHEPTACOSANE THEREFROM AND FOR PREPARING SYNTHETIC INTERMEDIATE THEREFOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-12-05 US disclosed
CN-119059888-A Haloalkyl oxymethyl ether compounds, process for preparing 13, 15-dimethylheptadecane therefrom and process for preparing synthetic intermediates thereof 信越化学工业株式会社 2024-12-03 CN disclosed
CN-119059889-A Haloalkylalkoxymethyl ether compound, process for producing 4,6,8,10,16-pentamethylbehene therefrom, and process for producing synthetic intermediate thereof 信越化学工业株式会社 2024-12-03 CN disclosed
CN-108484398-B Preparation method of 4-halobutyl acetate 黑龙江大学 2021-01-22 CN disclosed
WO-2019181784-A1 PHOTORESPONSIVE AZO COMPOUND, PHOTORESPONSIVE COMPOSITION, PHOTORESPONSIVE POLYMER COMPOUND, ADHESIVE, OPTICAL RESPONDER, AND METHOD FOR PRODUCING PHOTORESPONSIVE POLYMER COMPOUND 国立研究開発法人産業技術総合研究所 2019-09-26 WO disclosed
CN-108484398-A A kind of preparation method of 4- halobutyls acetic acid esters 黑龙江大学 2018-09-04 CN 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-20240400484-A1 HALOALKYL ALKOXYMETHYL ETHER COMPOUND, AND PROCESS FOR PREPARING 13,15-DIMETHYLHEPTACOSANE THEREFROM AND FOR PREPARING SYNTHETIC INTERMEDIATE THEREFOR CYP51A1, CYP4Z1, WEE1 ALDH1A1 193/4885ALOX15 46/4885CHRM5 918/4885
US-20240409480-A1 HALOALKYL ALKOXYMETHYL ETHER COMPOUND, AND PROCESS FOR PREPARING 4,6,8,10,16-PENTAMETHYLDOCOSANE THEREFROM AND FOR PREPARING SYNTHETIC INTERMEDIATE THEREFOR WEE1, CYP51A1, CYP4Z1 ALDH1A1 502/4885ALOX15 114/4885CHRM5 2717/4885

“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.