SCHEMBL2235137

SCHEMBL2235137

CCC(=O)OC(C)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.56
CTNNB1 P35222 1/20 0.56
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTR2A P28223 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
GAA P10253 2/20 0.48
MGLL Q99685 2/20 0.47
PTGS2 P35354 1/20 0.43
PTPN7 P35236 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL2234610 0.90 BCL9 (0.68) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL2232640 0.88 BCL9 (0.51) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL2236482 0.87 BCL9 (0.53) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL6447049 0.86 BCL9 (0.53) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL15459741 0.86 HTR2A (0.53) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL2233659 0.85 HTR2A (0.52) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL2235530 0.83 HTR2A (0.54) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL7989561 0.83 HTR2A (0.53) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL22364451 0.82 HTR2A (0.46) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL2235180 0.82 BCL9 (0.48) BCL9CTNNB1KMT2AMAPTSMN1; SMN2

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
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 EP 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 BCL9 2611/4885CTNNB1 4803/4885KMT2A 3664/4885

“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.