SCHEMBL12556189

SCHEMBL12556189

CCCCOCC1OC(Sc2ccccc2)C(OCCCC)C(OCCCC)C1OCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SSTR1 P30872 6/20 0.42
▸ SSTR2 P30874 6/20 0.42
▸ SSTR4 P31391 6/20 0.42
▸ SSTR3 P32745 6/20 0.42
▸ SSTR5 P35346 6/20 0.42
▸ GJB2 P29033 2/20 0.34
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ADRB2 P07550 1/20 0.32
▸ TACR1 P25103 1/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA4 P22748 2/20 0.32
▸ CA5A P35218 2/20 0.32
▸ CA7 P43166 2/20 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
SCHEMBL16160491 1.00 SSTR1 (0.42) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL16627224 1.00 SSTR1 (0.42) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL16160558 1.00 SSTR1 (0.42) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL10314526 1.00 SSTR1 (0.42) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL16160541 1.00 SSTR1 (0.42) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL17993804 0.99 SSTR1 (0.40) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL16160570 0.93 SSTR4 (0.47) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL16160565 0.93 SSTR4 (0.47) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL17755541 0.89 SSTR1 (0.33) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL10292898 0.89 GJB2 (0.36) SSTR1SSTR2SSTR4SSTR3SSTR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029454-A1 NKT CELL LIGANDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-02 — — US disclosed
US-9422325-B2 Glycosylation reactions using phenyl(trifluoroethyl)iodonium salts TRUSTEES OF TUFTS COLLEGE (US) 2016-08-23 — — US disclosed
US-9181293-B2 Method for the synthesis of aspalathin and analogues thereof SOUTH AFRICAN MEDICAL RESEARCH COUNCIL (ZA) 2015-11-10 — — US disclosed
US-20150099870-A1 Glycosylation Reactions Using Phenyl(trifluoroethyl)iodonium Salts TRUSTEES OF TUFTS COLLEGE 2015-04-09 — — US disclosed
US-20130018182-A1 Method for the Synthesis of Aspalathin and Analogues Thereof SOUTH AFRICAN MEDICAL RESEARCH COUNCIL (ZA) 2013-01-17 — — US disclosed
WO-2011064726-A1 METHOD FOR THE SYNTHESIS OF ASPALATHIN AND ANALOGUES THEREOF SOUTH AFRICAN MEDICAL RESEARCH COUNCIL (ZA) 2011-06-03 — — WO 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-20150099870-A1 Glycosylation Reactions Using Phenyl(trifluoroethyl)iodonium Salts UGGT1, OGA, GPI SSTR1 613/4885SSTR2 1282/4885SSTR4 588/4885
US-20170029454-A1 NKT CELL LIGANDS AND METHODS OF USE PBK, CD69, NFATC1 SSTR1 2583/4885SSTR2 3273/4885SSTR4 3172/4885
US-20130018182-A1 Method for the Synthesis of Aspalathin and Analogues Thereof ASPH, C9, ALDH3A1 SSTR1 3639/4885SSTR2 4160/4885SSTR4 3971/4885

“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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