SCHEMBL12202036

SCHEMBL12202036

CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC(=O)N[C@@H](COC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1)[C@H](O)[C@H](O)CCCCCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 3/20 0.45
▸ PTPN1 P18031 9/20 0.44
▸ CDC25B P30305 8/20 0.44
▸ NT5E P21589 1/20 0.41
▸ TACR1 P25103 1/20 0.40
▸ PTPN2 P17706 4/20 0.40
▸ PTPN6 P29350 4/20 0.40
▸ PTPN11 Q06124 4/20 0.40
▸ SSTR1 P30872 1/20 0.39
▸ SSTR2 P30874 1/20 0.39
▸ SSTR4 P31391 1/20 0.39
▸ SSTR3 P32745 1/20 0.39
▸ SSTR5 P35346 1/20 0.39

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
SCHEMBL12202028 0.99 PTPN1 (0.45) SELPPTPN1CDC25BNT5ETACR1
SCHEMBL12202025 0.99 PTPN1 (0.45) SELPPTPN1CDC25BNT5ETACR1
SCHEMBL12197588 0.94 SELP (0.43) SELPPTPN1CDC25BNT5ETACR1
SCHEMBL12202034 0.94 PTPN1 (0.46) SELPPTPN1CDC25BNT5ETACR1
SCHEMBL12202027 0.94 PTPN1 (0.44) SELPPTPN1CDC25BNT5ETACR1
SCHEMBL12202032 0.91 PTPN1 (0.44) SELPPTPN1CDC25BNT5ETACR1
SCHEMBL12202038 0.91 PTPN1 (0.46) SELPPTPN1CDC25BNT5ETACR1
SCHEMBL20019548 0.88 SELP (0.51) SELPPTPN1CDC25BNT5ETACR1
SCHEMBL12202042 0.86 PTPN1 (0.45) SELPPTPN1CDC25BNT5ETACR1
SCHEMBL12202041 0.86 PTPN1 (0.45) SELPPTPN1CDC25BNT5ETACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034908-B2 Glycolipids and synthetic method thereof as well as their synthetic intermediates, and synthetic method thereof JAPAN AS REPRESENTED BY PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2011-10-11 — — US disclosed
US-20100210828-A1 NEW GLYCOLIPIDS AND SYNTHETIC METHOD THEREOF AS WELL AS THEIR SYNTHETIC INTERMEDIATES, AND SYNTHETIC METHOD THEREOF JAPAN AS REPRESENTED BY THE PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2010-08-19 — — US disclosed
US-7732583-B2 Glycolipids and synthetic method thereof as well as their synthetic intermediates, and synthetic intermediates, and synthetic method thereof JAPAN AS REPRESENTED BY PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2010-06-08 — — 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-20100210828-A1 NEW GLYCOLIPIDS AND SYNTHETIC METHOD THEREOF AS WELL AS THEIR SYNTHETIC INTERMEDIATES, AND SYNTHETIC METHOD THEREOF SGMS1, UGCG, SGMS2 SELP 1712/4885PTPN1 3627/4885CDC25B 2234/4885

“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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