SCHEMBL17865669

SCHEMBL17865669

C=C(CCCl)COC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 3/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 2/20 0.32
FAAH O00519 1/20 0.32
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRNB2 P17787 1/20 0.31
TBXA2R P21731 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRNA10 Q9GZZ6 1/20 0.31

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
SCHEMBL10457016 0.82
SCHEMBL8612369 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10LMNATDP1FAAH
SCHEMBL9010816 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10LMNATDP1FAAH
SCHEMBL21986928 0.80 ALDH1A1 (0.43) ALDH1A1HSD17B10LMNATDP1FAAH
SCHEMBL17865658 0.78 ALDH1A1 (0.37) ALDH1A1HSD17B10LMNATDP1FAAH
SCHEMBL11797751 0.77 ALDH1A1 (0.50) ALDH1A1HSD17B10LMNAFAAHTSHR
SCHEMBL4641669 0.76 ALDH1A1 (0.39) ALDH1A1HSD17B10LMNAFAAHCHRM5
SCHEMBL12923229 0.75 CA1 (0.40) ALDH1A1HSD17B10LMNATDP1FAAH
SCHEMBL10457015 0.75 MAPT (0.36) ALDH1A1HSD17B10LMNATDP1FAAH
SCHEMBL9012179 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105732296-B 7-methyl-3-methyl-7-octenyl halide, preparation method thereof and method for preparing 7-methyl-3-methyl-7-octenyl propionate 信越化学工业株式会社 2023-05-02 CN disclosed
US-9481619-B2 7-methyl-3-methylene-7-octenyl halide, method for producing the same, and method for producing 7-methyl-3-methylene-7-octenyl propionate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-11-01 US disclosed
US-20160185690-A1 7-METHYL-3-METHYLENE-7-OCTENYL HALIDE, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING 7-METHYL-3-METHYLENE-7-OCTENYL PROPIONATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-06-30 US disclosed
EP-3037403-A1 7-METHYL-3-METHYLENE-7-OCTENYL HALIDE, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING 7-METHYL-3-METHYLENE-7-OCTENYL PROPIONATE Shin-Etsu Chemical Co., Ltd. (JP) 2016-06-29 EP disclosed
EP-3037403-A1 7-METHYL-3-METHYLENE-7-OCTENYL HALIDE, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING 7-METHYL-3-METHYLENE-7-OCTENYL PROPIONATE Shin-Etsu Chemical Co., Ltd. (JP) 2016-06-29 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 (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-20160185690-A1 7-METHYL-3-METHYLENE-7-OCTENYL HALIDE, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING 7-METHYL-3-METHYLENE-7-OCTENYL PROPIONATE CYP3A7, CYP2A7, HSD17B12 ALDH1A1 441/4885HSD17B10 20/4885LMNA 3144/4885

“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.