SCHEMBL14554178

SCHEMBL14554178

CCCCO[C@@H]1C(O)[C@H](OCCCC)CO[C@@H]1CO

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.41
GJB2 P29033 1/20 0.38
SPHK2 Q9NRA0 4/20 0.37
SPHK1 Q9NYA1 4/20 0.37
MAPK1 P28482 1/20 0.35
SLC6A2 P23975 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL19297383 0.89 GBA1 (0.40) GBA1SPHK2SPHK1MAPK1SMN1; SMN2
SCHEMBL14413940 0.89 GBA1 (0.40) GBA1SPHK2SPHK1MAPK1SMN1; SMN2
SCHEMBL24670890 0.83 GBA1 (0.48) GBA1SPHK2SPHK1MAPK1
SCHEMBL11322928 0.83 GBA1 (0.46) GBA1GJB2SPHK2SPHK1MAPK1
SCHEMBL24177516 0.83 GBA1 (0.48) GBA1SPHK2SPHK1MAPK1
SCHEMBL31236147 0.83 GBA1 (0.48) GBA1SPHK2SPHK1MAPK1
SCHEMBL13083168 0.83 GBA1 (0.44) GBA1SPHK2SPHK1SMN1; SMN2
SCHEMBL16508369 0.83 GBA1 (0.44) GBA1SPHK2SPHK1SMN1; SMN2
SCHEMBL16248055 0.83 GBA1 (0.44) GBA1SPHK2SPHK1SMN1; SMN2
SCHEMBL14554176 0.83 GBA1 (0.44) GBA1SPHK2SPHK1SMN1; SMN2

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-20130011421-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-01-10 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-20130011421-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS, AND USES THEREOF LSS, CYP51A1, TLR7 GBA1 261/4885GJB2 4428/4885SPHK2 2488/4885

“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.