SCHEMBL21067009

SCHEMBL21067009

CC(=O)CCCC(C)CCOC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.56
PTPN1 P18031 2/20 0.49
ALDH1A1 P00352 4/20 0.42
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRNB2 P17787 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7552905 0.85 ALOX15 (0.70) ALOX15PTPN1ALDH1A1CHRM5CHRM1
SCHEMBL891472 0.85 ALOX15 (0.53) ALOX15PTPN1ALDH1A1CHRM5CHRM1
SCHEMBL215965 0.82 PTPN1 (0.58) ALOX15PTPN1ALDH1A1CHRM5CHRM1
SCHEMBL14540311 0.82 PTPN1 (0.46) ALOX15PTPN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL6106385 0.82 ALDH1A1 (0.59) ALOX15PTPN1ALDH1A1CHRM5CHRM1
SCHEMBL997389 0.82 PTPN1 (0.58) ALOX15PTPN1ALDH1A1CHRM5CHRM1
SCHEMBL3505233 0.82 PTPN1 (0.58) ALOX15PTPN1ALDH1A1CHRM5CHRM1
SCHEMBL872939 0.82 PTPN1 (0.58) ALOX15PTPN1ALDH1A1CHRM5CHRM1
SCHEMBL997391 0.82 PTPN1 (0.58) ALOX15PTPN1ALDH1A1CHRM5CHRM1
SCHEMBL997319 0.81 ALOX15 (0.53) ALOX15PTPN1ALDH1A1CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109956850-B Process for producing 3, 7-dimethyl-7-octenyl alcohol and 3, 7-dimethyl-7-octenyl carboxylate compound 信越化学工业株式会社 2022-06-21 CN disclosed
EP-3505506-B1 METHOD FOR PRODUCING 3,7-DIMETHYL-7-OCTENOL AND METHOD FOR PRODUCING 3,7-DIMETHYL-7-OCTENYL CARBOXYLATE COMPOUND SHINETSU CHEMICAL CO (JP) 2021-02-03 EP disclosed
EP-3505506-A1 METHOD FOR PRODUCING 3,7-DIMETHYL-7-OCTENOL AND METHOD FOR PRODUCING 3,7-DIMETHYL-7-OCTENYL CARBOXYLATE COMPOUND Shin-Etsu Chemical Co., Ltd. (JP) 2019-07-03 EP disclosed
US-20190194099-A1 METHOD FOR PRODUCING 3,7-DIMETHYL-7-OCTENOL AND METHOD FOR PRODUCING 3,7-DIMETHYL-7-OCTENYL CARBOXYLATE COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-06-27 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-20190194099-A1 METHOD FOR PRODUCING 3,7-DIMETHYL-7-OCTENOL AND METHOD FOR PRODUCING 3,7-DIMETHYL-7-OCTENYL CARBOXYLATE COMPOUND AOX1, CASP7, CYP8B1 ALOX15 343/4885PTPN1 4437/4885ALDH1A1 619/4885

“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.