SCHEMBL2533554

SCHEMBL2533554

CC1(C)OCC(COc2cccc(C(=O)OC(=O)c3cccc(OCC4COC(C)(C)O4)n3)n2)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
CA2 P00918 1/20 0.39
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1204190 0.89 TMEM97 (0.41) KCNJ5KCNJ3CA2TMEM97SIGMAR1
SCHEMBL14882369 0.89 TMEM97 (0.41) KCNJ5KCNJ3CA2TMEM97SIGMAR1
SCHEMBL466017 0.89 TMEM97 (0.41) KCNJ5KCNJ3CA2TMEM97SIGMAR1
SCHEMBL20356662 0.82 KCNJ5 (0.43) KCNJ5KCNJ3CA2TMEM97SIGMAR1
SCHEMBL20356443 0.82 KCNJ5 (0.43) KCNJ5KCNJ3CA2TMEM97SIGMAR1
SCHEMBL20356767 0.82 KCNJ5 (0.43) KCNJ5KCNJ3CA2TMEM97SIGMAR1
SCHEMBL7564361 0.79 DRD4 (0.47) KCNJ5KCNJ3CA2KDM4EALDH1A1
SCHEMBL9981632 0.79 CA2 (0.43) KCNJ5KCNJ3CA2TMEM97SIGMAR1
SCHEMBL1817279 0.79 CA2 (0.43) KCNJ5KCNJ3CA2TMEM97SIGMAR1
SCHEMBL6437207 0.79 HTR7 (0.43) KCNJ5KCNJ3CA2TMEM97SIGMAR1

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-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 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-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KCNJ5 4276/4885KCNJ3 4318/4885CA2 4063/4885

“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.