SCHEMBL4298713

SCHEMBL4298713

CCCCCCCCCCCCCCCCCC(=O)NCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
GJB2 P29033 1/20 0.54
SELL P14151 3/20 0.46
SELP P16109 3/20 0.46
SELE P16581 3/20 0.46
TLR4 O00206 1/20 0.45
MMP13 P45452 1/20 0.45
CETP P11597 1/20 0.44

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
SCHEMBL16092453 1.00 MAPK1 (0.55) MAPK1GJB2SELLSELPSELE
SCHEMBL14506448 1.00 MAPK1 (0.55) MAPK1GJB2SELLSELPSELE
SCHEMBL30391777 0.99 MAPK1 (0.53) MAPK1GJB2SELLSELPSELE
SCHEMBL25672964 0.94 GJB2 (0.49) MAPK1GJB2MMP13
SCHEMBL18392190 0.93 MAPK1 (0.58) MAPK1GJB2
SCHEMBL15247047 0.93 GJB2 (0.58) MAPK1GJB2MMP13
SCHEMBL18357218 0.93 GJB2 (0.58) MAPK1GJB2MMP13
SCHEMBL12972816 0.93 GJB2 (0.58) MAPK1GJB2MMP13
SCHEMBL16640877 0.92 GJB2 (0.46) MAPK1GJB2MMP13
SCHEMBL16509365 0.91 GJB2 (0.58) MAPK1GJB2MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408045-B1 NOVEL GALACTOSYLCERAMIDE ANALOGS AND BETA-GLUCOCEREBROSIDASE ACTIVATORS,EXTERNAL SKIN PREPARATIONS AND METHOD OF ACTIVATING BETA-GLUCOCEREBROSIDASE USING THE ANALOGS KAO CORP (JP) 2009-05-27 EP disclosed
US-20070111951-A1 Novel galactosylceramide analogues, and beta-glucocerebrosidase activator, external skin preparations and method of activating beta-glucocerebrosidase using the same KAO CORPORATION 2007-05-17 US disclosed
US-7183261-B2 Galactosylceramide analogs, and β-glucocerebrosidase activators, external skin preparations and method of activating β-glucocerebrosidase using the analogs KAO CORPORATION (JP) 2007-02-27 US disclosed
US-20040242499-A1 Novel galactosylceramide analogs, and beta-glucocerebrosidase activators, external skin preparations and method of activating beta-glucocerebrosidase using the analogs KAO CORPORATION (JP) 2004-12-02 US disclosed
EP-1408045-A1 NOVEL GALACTOSYLCERAMIDE ANALOGS AND BETA-GLUCOCEREBROSIDASE ACTIVATORS,EXTERNAL SKIN PREPARATIONS AND METHOD OF ACTIVATING BETA-GLUCOCEREBROSIDASE USING THE ANALOGS Kanebo, Limited (JP) 2004-04-14 EP 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 (2 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-20070111951-A1 Novel galactosylceramide analogues, and beta-glucocerebrosidase activator, external skin preparations and method of activating beta-glucocerebrosidase using the same GBA1, GALC, GBA2 MAPK1 2538/4885GJB2 1115/4885SELL 3742/4885
US-20040242499-A1 Novel galactosylceramide analogs, and beta-glucocerebrosidase activators, external skin preparations and method of activating beta-glucocerebrosidase using the analogs GBA1, GALC, GBA2 MAPK1 1866/4885GJB2 846/4885SELL 3646/4885

“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.