SCHEMBL2017266

SCHEMBL2017266

CCCCCCCCCCCCCCCCCCOC1CC(C(=O)O)CC(OCCCCCCCCCCCCCCCCCC)C1OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.47
PPP5C P53041 1/20 0.44
S1PR5 Q9H228 8/20 0.43
S1PR1 P21453 6/20 0.43
S1PR3 Q99500 4/20 0.43
PPARG P37231 1/20 0.40

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
SCHEMBL2016622 0.84 GBA1 (0.45) GBA1PPP5C
SCHEMBL533902 0.77 GBA1 (0.50) GBA1PPP5C
SCHEMBL19549582 0.77 GBA1 (0.46) GBA1PPP5CPPARG
SCHEMBL15470821 0.76 GBA1 (0.48) GBA1PPP5C
SCHEMBL8969164 0.74 EPHX2 (0.44) GBA1PPP5CS1PR5S1PR1S1PR3
SCHEMBL8970509 0.74 EPHX2 (0.44) GBA1PPP5CS1PR5S1PR1S1PR3
SCHEMBL8970376 0.74 EPHX2 (0.44) GBA1PPP5CS1PR5S1PR1S1PR3
SCHEMBL8970086 0.74 EPHX2 (0.44) GBA1PPP5CS1PR5S1PR1S1PR3
SCHEMBL2606682 0.74 PPP5C (0.46) PPP5CS1PR5S1PR1S1PR3
SCHEMBL1298353 0.73 PPARG (0.48) S1PR5S1PR1S1PR3PPARG

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
US-9206230-B2 Benzylic compound AJINOMOTO CO., INC. (JP) 2015-12-08 US disclosed
US-20140371424-A1 BENZYLIC COMPOUND AJINOMOTO CO., INC. (JP) 2014-12-18 US disclosed
US-8859732-B2 Benzylic compound AJINOMOTO CO., INC. (JP) 2014-10-14 US disclosed
EP-2518041-A1 BENZYL COMPOUND Ajinomoto Co., Inc. (JP) 2012-10-31 EP disclosed
US-20110160433-A1 BENZYLIC COMPOUND AJINOMOTO CO., INC. (JP) 2011-06-30 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 (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-20110160433-A1 BENZYLIC COMPOUND VIP, NGLY1, FURIN GBA1 844/4885PPP5C 4416/4885S1PR5 2946/4885
US-20140371424-A1 BENZYLIC COMPOUND VIP, NGLY1, FURIN GBA1 844/4885PPP5C 4416/4885S1PR5 2946/4885

“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.