SCHEMBL19731780

SCHEMBL19731780

C=CCO[C@H]1OC(COCCCC)[C@@H](OCCCC)C(OCCCC)C1O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 5/20 0.44
GBA1 P04062 2/20 0.38
TNF P01375 1/20 0.37
SLC2A1 P11166 1/20 0.34
SSTR1 P30872 1/20 0.33
SSTR2 P30874 1/20 0.33
SSTR4 P31391 1/20 0.33
SSTR3 P32745 1/20 0.33
SSTR5 P35346 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL14885872 1.00 GJB2 (0.44) GJB2GBA1TNFSLC2A1SSTR1
SCHEMBL12177899 0.89 GJB2 (0.42) GJB2GBA1TNFSSTR1SSTR2
SCHEMBL14885866 0.89 GJB2 (0.44) GJB2GBA1TNFSSTR1SSTR2
SCHEMBL14885876 0.89 GJB2 (0.44) GJB2GBA1TNFSSTR1SSTR2
SCHEMBL12419813 0.88 GJB2 (0.40) GJB2TNFSSTR1SSTR2SSTR4
SCHEMBL12419788 0.88 GJB2 (0.40) GJB2TNFSSTR1SSTR2SSTR4
SCHEMBL9926358 0.88 GJB2 (0.50) GJB2GBA1TNFSSTR1SSTR2
SCHEMBL9926368 0.88 GJB2 (0.50) GJB2GBA1TNFSSTR1SSTR2
SCHEMBL3345071 0.86 GJB2 (0.41) GJB2GBA1TNFSSTR1SSTR2
SCHEMBL3345069 0.86 GJB2 (0.41) GJB2GBA1TNFSSTR1SSTR2

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-20170362265-A1 METHODS FOR MODULAR SYNTHESIS OF N-GLYCANS AND ARRAYS THEREOF ACADEMIA SINICA (TW) 2017-12-21 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-20170362265-A1 METHODS FOR MODULAR SYNTHESIS OF N-GLYCANS AND ARRAYS THEREOF SIGLEC7, SIGLEC9, CD4 GJB2 3462/4885GBA1 265/4885TNF 4092/4885

“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.