SCHEMBL2815112

SCHEMBL2815112

COC1O[C@H](C(C)OC(=O)c2ccccc2)[C@@H](Oc2cccc3ccccc23)[C@@]1(C)OC(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 3/20 0.32
ALOX5 P09917 2/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
EPHX1 P07099 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FABP7 O15540 1/20 0.31
FABP3 P05413 1/20 0.31
FABP5 Q01469 1/20 0.31
PTGES O14684 1/20 0.30
CASP3 P42574 1/20 0.30
PGR P06401 1/20 0.30
GAA P10253 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL383266 0.89 RAB9A (0.36) RAB9ANPC1KMT2AALOX5NCOA3
SCHEMBL14643296 0.83 GAA (0.36) RAB9ANPC1ALDH1A1GAALMNA
SCHEMBL13134599 0.83 GAA (0.36) RAB9ANPC1ALDH1A1GAALMNA
SCHEMBL2815213 0.76 NT5E (0.39) RAB9ANPC1KMT2AALOX5ALDH1A1
SCHEMBL2816174 0.75 RAB9A (0.38) RAB9ANPC1KMT2ANCOA3ALDH1A1
SCHEMBL2816178 0.75 RAB9A (0.38) RAB9ANPC1KMT2ANCOA3ALDH1A1
SCHEMBL2812042 0.75 RAB9A (0.38) RAB9ANPC1KMT2AALOX5NCOA3
SCHEMBL13134669 0.74 ABCB1 (0.38) KMT2AGAA
SCHEMBL14643301 0.74 ABCB1 (0.38) KMT2AGAA
SCHEMBL461746 0.73 ALDH1A1 (0.43) RAB9ANPC1KMT2AALOX5NCOA3

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 731/4885KMT2A 3121/4885

“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.