SCHEMBL14554176

SCHEMBL14554176

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 7/20 0.44
SMN1; SMN2 Q16637 1/20 0.37
PPP5C P53041 1/20 0.36
SPHK2 Q9NRA0 4/20 0.33
SPHK1 Q9NYA1 4/20 0.33
BCHE P06276 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL13083168 1.00 GBA1 (0.44) GBA1SMN1; SMN2PPP5CSPHK2SPHK1
SCHEMBL16508369 1.00 GBA1 (0.44) GBA1SMN1; SMN2PPP5CSPHK2SPHK1
SCHEMBL16248055 1.00 GBA1 (0.44) GBA1SMN1; SMN2PPP5CSPHK2SPHK1
SCHEMBL12817866 0.88 GBA1 (0.42) GBA1SMN1; SMN2PPP5CSPHK2SPHK1
SCHEMBL18102895 0.85 GBA1 (0.43) GBA1SMN1; SMN2PPP5CSPHK2SPHK1
SCHEMBL11097329 0.85 GBA1 (0.46) GBA1SMN1; SMN2SPHK2SPHK1
SCHEMBL2044382 0.85 GBA1 (0.46) GBA1SMN1; SMN2SPHK2SPHK1
SCHEMBL14554178 0.83 GBA1 (0.41) GBA1SMN1; SMN2SPHK2SPHK1
SCHEMBL13665027 0.83 GBA1 (0.41) GBA1SMN1; SMN2PPP5CSPHK2SPHK1
SCHEMBL3960989 0.80 GBA1 (0.53) GBA1SPHK2SPHK1ALDH1A1TDP1

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 261/4885SMN1; SMN2 4439/4885PPP5C 1981/4885

“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.