SCHEMBL21067017

SCHEMBL21067017

C=C(C)CCCC(C)CI

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33

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
SCHEMBL28994470 0.86 PTPN1 (0.37) PTPN1
SCHEMBL28309634 0.79 PTPN1 (0.34) PTPN1
SCHEMBL1453540 0.79 PTPN1 (0.34) PTPN1
SCHEMBL2071702 0.79 TSHR (0.44) PTPN1
SCHEMBL1245723 0.79 TSHR (0.44) PTPN1
SCHEMBL25203489 0.79 PTPN1 (0.34) PTPN1
SCHEMBL1296286 0.79 PTPN1 (0.34) PTPN1
SCHEMBL21067026 0.77 PTPN1 (0.33) PTPN1
SCHEMBL1866665 0.77 ALDH1A1 (0.43) PTPN1
SCHEMBL21067013 0.77 HSD17B10 (0.38) 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 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 PTPN1 4437/4885

“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.