SCHEMBL6985619

SCHEMBL6985619

CC(=O)OC[C@@H](COC(=O)c1ccccc1)OC(C(C)C)C(C)OC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
PRKCA P17252 1/20 0.44
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 3/20 0.39
PTPN1 P18031 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL13766625 0.85 ADRB2 (0.47) ALDH1A1PRKCAADRB2ADRB1ADRB3
SCHEMBL12113343 0.85 ADRB2 (0.47) ALDH1A1PRKCAADRB2ADRB1ADRB3
SCHEMBL12113431 0.84 ALDH1A1 (0.44) ALDH1A1PRKCAADRB2ADRB1ADRB3
SCHEMBL10181949 0.84 ALDH1A1 (0.44) ALDH1A1PRKCAADRB2ADRB1ADRB3
SCHEMBL22632347 0.83 ALDH1A1 (0.49) ALDH1A1PRKCAADRB2ADRB1ADRB3
SCHEMBL1784717 0.76 TSHR (0.53) ALDH1A1PRKCALMNAMAPTTSHR
SCHEMBL17557410 0.76 PRKCA (0.49) ALDH1A1PRKCAADRB2ADRB1ADRB3
SCHEMBL1783870 0.75 ALDH1A1 (0.59) ALDH1A1PRKCAADRB2ADRB1ADRB3
SCHEMBL7150226 0.75 PRKCA (0.59) ALDH1A1PRKCAADRB2ADRB1ADRB3
Tribenzoin SCHEMBL28609 0.74 ALDH1A1 (0.67) ALDH1A1PRKCAADRB2ADRB1ADRB3

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-20120121541-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF ANADYS PHARMACEUTICALS, INC. (US) 2012-05-17 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-20120121541-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF TLR5, THPO, IDO1 ALDH1A1 340/4885PRKCA 4215/4885ADRB2 1327/4885

“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.