SCHEMBL21067013

SCHEMBL21067013

C=C(C)CCCC(C)CCl

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL21067029 0.98 HSD17B10 (0.36) HSD17B10TDP1PTPN1ALDH1A1TSHR
SCHEMBL20417327 0.91 HSD17B10 (0.35) HSD17B10TDP1
SCHEMBL28994091 0.84 PTPN1 (0.36) HSD17B10TDP1PTPN1
SCHEMBL25203489 0.79 PTPN1 (0.34) PTPN1
SCHEMBL1453540 0.79 PTPN1 (0.34) PTPN1
SCHEMBL1245723 0.79 TSHR (0.44) PTPN1TSHR
SCHEMBL2071702 0.79 TSHR (0.44) PTPN1TSHR
SCHEMBL1296286 0.79 PTPN1 (0.34) PTPN1
SCHEMBL21105553 0.77 PTPN1 (0.33) PTPN1
SCHEMBL21067017 0.77 PTPN1 (0.33) PTPN1

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-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
CN-109953024-B Sex pheromone active composition for Lecanicillium pyriformis, attractant for Lecanicillium pyriformis, mating disruptor, attracting method and mating disrupting method 信越化学工业株式会社 2021-08-03 CN disclosed
EP-3504968-B1 COMPOSITION HAVING SEX PHEROMONE ACTIVITY ON SAN JOSE SCALE, AND ATTRACTANT, MATING DISRUPTANT, ATTRACTION METHOD AND MATING DISRUPTION METHOD FOR SAN JOSE SCALE SHINETSU CHEMICAL CO (JP) 2021-02-03 EP 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
US-10736317-B2 Composition having sex pheromone activity on San Jose scale, and attractant, mating disruptant, attraction method and mating disruption method for San Jose scale SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-08-11 US disclosed
US-10736317-B2 Composition having sex pheromone activity on San Jose scale, and attractant, mating disruptant, attraction method and mating disruption method for San Jose scale SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-08-11 US 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
EP-3504968-A1 COMPOSITION HAVING SEX PHEROMONE ACTIVITY ON SAN JOSE SCALE, AND ATTRACTANT, MATING DISRUPTANT, ATTRACTION METHOD AND MATING DISRUPTION METHOD FOR SAN JOSE SCALE Shin-Etsu Chemical Co., Ltd. (JP) 2019-07-03 EP disclosed
CN-109953024-A San Jose Scale's Sex Pheromone active compound, the attractant for san jose scale, mating interference unit, sucking method and mating interference method 信越化学工业株式会社 2019-07-02 CN disclosed
CN-109956850-A The production method of 3,7- dimethyl -7- matsutake alcohol and 3,7- dimethyl -7- octenyl carboxylate compound 信越化学工业株式会社 2019-07-02 CN disclosed
US-20190191698-A1 COMPOSITION HAVING SEX PHEROMONE ACTIVITY ON SAN JOSE SCALE, AND ATTRACTANT, MATING DISRUPTANT, ATTRACTION METHOD AND MATING DISRUPTION METHOD FOR SAN JOSE SCALE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-06-27 US 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
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
US-20190191698-A1 COMPOSITION HAVING SEX PHEROMONE ACTIVITY ON SAN JOSE SCALE, AND ATTRACTANT, MATING DISRUPTANT, ATTRACTION METHOD AND MATING DISRUPTION METHOD FOR SAN JOSE SCALE 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 (3 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 HSD17B10 203/4885TDP1 2485/4885PTPN1 4437/4885
US-10736317-B2 Composition having sex pheromone activity on San Jose scale, and attractant, mating disruptant, attraction method and mating disruption method for San Jose scale VAMP7, ACR, PSD HSD17B10 528/4885TDP1 2120/4885PTPN1 3327/4885
US-20190191698-A1 COMPOSITION HAVING SEX PHEROMONE ACTIVITY ON SAN JOSE SCALE, AND ATTRACTANT, MATING DISRUPTANT, ATTRACTION METHOD AND MATING DISRUPTION METHOD FOR SAN JOSE SCALE VAMP7, ACR, PSD HSD17B10 528/4885TDP1 2120/4885PTPN1 3327/4885

“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.