SCHEMBL13063348

SCHEMBL13063348

N=NCCCCCc1cc2oc3cc(O)c(O)cc3c2c(=O)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.41
MCL1 Q07820 5/20 0.39
MMP1 P03956 1/20 0.38
PTPN1 P18031 1/20 0.38
MAOA P21397 1/20 0.38
FASN P49327 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RECQL P46063 2/20 0.38
BLM P54132 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
ALPI P09923 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38

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
SCHEMBL14723724 0.87 MCL1 (0.46) NT5EMCL1MMP1PTPN1MAOA
SCHEMBL10135416 0.84 NT5E (0.43) NT5EMCL1MMP1PTPN1MAOA
SCHEMBL10181459 0.84 ELANE (0.51) NT5EMCL1MMP1PTPN1MAOA
SCHEMBL16167898 0.84 ELANE (0.51) NT5EMCL1MMP1PTPN1MAOA
SCHEMBL10135420 0.84 ELANE (0.51) NT5EMCL1MMP1PTPN1MAOA
SCHEMBL10181803 0.82 NT5E (0.44) NT5EMCL1MMP1PTPN1MAOA
SCHEMBL10182090 0.82 PGAM1 (0.49) NT5EMCL1MMP1PTPN1MAOA
SCHEMBL10135412 0.81 NT5E (0.41) NT5EMCL1MMP1PTPN1MAOA
SCHEMBL10182036 0.79 NT5E (0.40) NT5EMCL1MMP1PTPN1MAOA
SCHEMBL14723716 0.78 MCL1 (0.38) NT5EMCL1MEN1KMT2ARECQL

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-8383088-B2 Coumestan-like antioxidants and UV absorbants BASF SE (DE) 2013-02-26 US disclosed
US-20100330009-A1 COUMESTAN-LIKE ANTIOXIDANTS AND UV ABSORBANTS CIBA CORPORATION (US) 2010-12-30 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-20100330009-A1 COUMESTAN-LIKE ANTIOXIDANTS AND UV ABSORBANTS TYR, NQO1, SIRT3 NT5E 3169/4885MCL1 3833/4885MMP1 1333/4885

“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.