SCHEMBL6577540

SCHEMBL6577540

CCCC(=O)OCOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.74
CTNNB1 P35222 1/20 0.74
HTR2A P28223 1/20 0.53
MGLL Q99685 2/20 0.51
GAA P10253 1/20 0.49
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTPN7 P35236 1/20 0.43
PTPN12 Q05209 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL29189078 0.91 BCL9 (0.59) BCL9CTNNB1HTR2AMGLLGAA
SCHEMBL6395955 0.91 BCL9 (0.60) BCL9CTNNB1HTR2AMGLLGAA
SCHEMBL6444724 0.90 BCL9 (0.59) BCL9CTNNB1HTR2AMGLLGAA
SCHEMBL31629546 0.90 BCL9 (0.59) BCL9CTNNB1HTR2AMGLLGAA
SCHEMBL31331481 0.90 BCL9 (0.59) BCL9CTNNB1HTR2AMGLLGAA
SCHEMBL5762656 0.89 BCL9 (0.60) BCL9CTNNB1HTR2AMGLLGAA
SCHEMBL15548469 0.88 BCL9 (0.56) BCL9CTNNB1HTR2AMGLLGAA
SCHEMBL29189081 0.86 BCL9 (0.54) BCL9CTNNB1HTR2AMGLLGAA
SCHEMBL133257 0.85 BCL9 (1.00) BCL9CTNNB1HTR2AMGLLGAA
SCHEMBL3468592 0.84 HTR2A (0.56) BCL9CTNNB1HTR2AMGLLGAA

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-20040176350-A1 Carbapenem compound KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2004-09-09 US disclosed
EP-1398314-A1 CARBAPENEM COMPOUND Kyoto Pharmaceutical Industries, Ltd. (JP) 2004-03-17 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-20040176350-A1 Carbapenem compound ALPI, SI, OXA1L BCL9 1306/4885CTNNB1 56/4885HTR2A 4776/4885

“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.