SCHEMBL2816174

SCHEMBL2816174

COC1O[C@H](C(C)OC(=O)c2ccccc2)[C@@H](Oc2cccc3ccccc23)[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
LGALS1 P09382 2/20 0.36
LGALS3 P17931 2/20 0.36
LGALS7; LGALS7B P47929 2/20 0.36
LGALS9 O00182 1/20 0.36
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
CD209 Q9NNX6 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
EPHX1 P07099 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LGALS8 O00214 1/20 0.32
FABP7 O15540 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
SCHEMBL2816178 1.00 RAB9A (0.38) RAB9ANPC1LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL2814026 0.79 TSHR (0.41) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL781561 0.79 TSHR (0.41) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL384073 0.79 TSHR (0.41) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL2812042 0.78 RAB9A (0.38) RAB9ANPC1KMT2AALDH1A1HSD17B10
SCHEMBL461746 0.78 ALDH1A1 (0.43) RAB9ANPC1KMT2AALDH1A1HSD17B10
SCHEMBL383266 0.77 RAB9A (0.36) RAB9ANPC1KMT2AALDH1A1HSD17B10
SCHEMBL2815112 0.75 RAB9A (0.35) RAB9ANPC1KMT2AALDH1A1HSD17B10
SCHEMBL16300849 0.75 LMNA (0.39) RAB9ANPC1LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL13471854 0.72 LGALS9 (0.40) RAB9ANPC1LGALS1LGALS3LGALS7; LGALS7B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2623104-A1 Substituted nucleoside and nucleotide analogs Alios Biopharma, Inc. (US) 2013-08-07 EP disclosed
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 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 (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-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS PNP, TYMP, NTPCR RAB9A 1213/4885NPC1 731/4885LGALS1 4255/4885

“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.