SCHEMBL18308949

SCHEMBL18308949

CCC1O[C@H](O[C@H]2O[C@H](COCc3ccccc3)[C@@H](O)C(OCc3ccccc3)C2C)C(OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 3/20 0.44
▸ PTPN1 P18031 4/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ PTPN2 P17706 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ NT5E P21589 1/20 0.43
▸ TACR2 P21452 1/20 0.42
▸ SSTR4 P31391 2/20 0.41
▸ SSTR5 P35346 2/20 0.41
▸ SSTR1 P30872 1/20 0.41
▸ SSTR2 P30874 1/20 0.41
▸ SSTR3 P32745 1/20 0.41
▸ CDC25B P30305 2/20 0.41
▸ GJA1 P17302 1/20 0.40
▸ TACR1 P25103 1/20 0.40

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
SCHEMBL18308954 1.00 GJB2 (0.44) GJB2PTPN1SLC6A2PTPN2PTPN11
SCHEMBL18308958 0.95 GJB2 (0.44) GJB2PTPN1SLC6A2PTPN2PTPN11
SCHEMBL18308945 0.95 PTPN1 (0.47) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL18308952 0.95 PTPN1 (0.47) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL7753913 0.89 SLC6A2 (0.52) GJB2PTPN1SLC6A2PTPN2PTPN11
SCHEMBL18308946 0.88 PTPN1 (0.42) GJB2PTPN1SLC6A2PTPN2PTPN11
SCHEMBL18308956 0.88 PTPN1 (0.42) GJB2PTPN1SLC6A2PTPN2PTPN11
SCHEMBL13308240 0.86 NT5E (0.48) GJB2PTPN1SLC6A2PTPN2PTPN11
SCHEMBL13449592 0.86 SSTR1 (0.48) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL9312735 0.85 SLC6A2 (0.52) GJB2PTPN1SLC6A2PTPN2PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362437-A1 Method for Producing Lentztrehalose A, Compound Useful for the Method, and Method for Producing the Compound MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2016-12-15 — — 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-20160362437-A1 Method for Producing Lentztrehalose A, Compound Useful for the Method, and Method for Producing the Compound TREH, TALDO1, ST6GAL1 GJB2 3451/4885PTPN1 4261/4885SLC6A2 2746/4885

“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.

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