SCHEMBL18308944

SCHEMBL18308944

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 11/20 0.41
▸ CDC25B P30305 9/20 0.41
▸ NT5E P21589 1/20 0.41
▸ PTPN2 P17706 6/20 0.41
▸ PTPN11 Q06124 6/20 0.41
▸ SSTR1 P30872 1/20 0.38
▸ SSTR2 P30874 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ SSTR5 P35346 1/20 0.38
▸ PTPN6 P29350 5/20 0.38
▸ GJB2 P29033 2/20 0.37
▸ CDC25A P30304 1/20 0.37
▸ SLC6A2 P23975 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
SCHEMBL18308964 1.00 PTPN1 (0.41) PTPN1CDC25BNT5EPTPN2PTPN11
SCHEMBL18308951 0.94 NT5E (0.45) PTPN1CDC25BNT5EPTPN2PTPN11
SCHEMBL18308955 0.94 NT5E (0.45) PTPN1CDC25BNT5EPTPN2PTPN11
SCHEMBL18308948 0.86 NT5E (0.43) PTPN1CDC25BNT5EPTPN2PTPN11
SCHEMBL18308966 0.86 NT5E (0.43) PTPN1CDC25BNT5EPTPN2PTPN11
SCHEMBL18308960 0.85 PTPN1 (0.43) PTPN1CDC25BNT5EPTPN2PTPN11
SCHEMBL18308949 0.85 GJB2 (0.44) PTPN1CDC25BNT5EPTPN2PTPN11
SCHEMBL18308954 0.85 GJB2 (0.44) PTPN1CDC25BNT5EPTPN2PTPN11
SCHEMBL18308946 0.83 PTPN1 (0.42) PTPN1CDC25BNT5EPTPN2PTPN11
SCHEMBL18308956 0.83 PTPN1 (0.42) PTPN1CDC25BNT5EPTPN2PTPN11

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 PTPN1 4261/4885CDC25B 1432/4885NT5E 4428/4885

“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.

Send feedback