SCHEMBL461746

SCHEMBL461746

CC(OC(=O)c1ccccc1)[C@H]1OC2OC(C)(C)O[C@@H]2[C@@H]1Oc1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 3/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.32
ALOX5 P09917 1/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
EPHX1 P07099 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL424296 0.83 ALDH1A1 (0.38) ALDH1A1HPGDKMT2AMEN1POLB
SCHEMBL19418521 0.78 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AHPGDKMT2A
SCHEMBL13134597 0.78 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AHPGDKMT2A
SCHEMBL13253091 0.78 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AHPGDKMT2A
SCHEMBL2816174 0.78 RAB9A (0.38) ALDH1A1NPC1RAB9AHPGDKMT2A
SCHEMBL2816178 0.78 RAB9A (0.38) ALDH1A1NPC1RAB9AHPGDKMT2A
SCHEMBL11013196 0.75 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AHPGDKMT2A
SCHEMBL383266 0.74 RAB9A (0.36) ALDH1A1NPC1RAB9AHPGDKMT2A
SCHEMBL2815112 0.73 RAB9A (0.35) ALDH1A1NPC1RAB9AHPGDKMT2A
SCHEMBL2812042 0.72 RAB9A (0.38) ALDH1A1NPC1RAB9AHPGDKMT2A

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 4 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
EP-2408306-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS Alios Biopharma, Inc. (US) 2012-01-25 EP disclosed
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 US disclosed
WO-2010108140-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-23 WO 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 ALDH1A1 2902/4885NPC1 731/4885RAB9A 1213/4885

“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.