SCHEMBL2744173

SCHEMBL2744173

COC(=O)c1cc(OC)ccc1-c1c(C=O)cc(OC)c(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.44
ERN1 O75460 4/20 0.43
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
TNFRSF1A P19438 1/20 0.41
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL2743552 0.81 KDM4E (0.57) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL26768913 0.78 KDM4E (0.52) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4039660 0.76 ERN1 (0.49) KDM4EALDH1A1ERN1HSD17B10
SCHEMBL4476198 0.75 TRIM24 (0.59) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6069413 0.75 MAOB (0.49) KDM4EERN1GAAMAPT
SCHEMBL30009450 0.75 KDM4E (0.80) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22345013 0.75 KDM4E (0.80) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2743529 0.73 ALDH1A1 (0.57) KDM4EALDH1A1ERN1HSD17B10MAPT
SCHEMBL15225915 0.73 ERN1 (0.52) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL7921960 0.72 ERN1 (0.59) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178578-B2 Chemical compounds THE UNIVERSITY OF MANCHESTER (GB) 2012-05-15 US disclosed
US-20100016261-A1 CHEMICAL COMPOUNDS THE UNIVERSITY OF MANCHESTER (GB) 2010-01-21 US disclosed
EP-2101755-A2 POLYALKYLOXYDIBENZ (C,E) OXEPINE DERIVATIVES AS MEDICAMENTS The University of Manchester (GB) 2009-09-23 EP disclosed
WO-2008075048-A2 POLYALKYLOXYDIBENZ ( C, E) OXEPINE DERIVATIVES AS MEDICAMENTS THE UNIVERSITY OF MANCHESTER (GB) 2008-06-26 WO 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-20100016261-A1 CHEMICAL COMPOUNDS CYP11B2, MPO, PIGO KDM4E 3104/4885CYP1A2 49/4885CYP2D6 132/4885

“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.