SCHEMBL2743552

SCHEMBL2743552

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
POLB P06746 2/20 0.48
PDE5A O76074 1/20 0.43
PDE4A P27815 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE1C Q14123 1/20 0.43
PDE3A Q14432 1/20 0.43
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GLA P06280 1/20 0.41

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
SCHEMBL2743785 0.83 PDE5A (0.49) CYP1A2PDE5APDE4APDE1APDE1B
SCHEMBL2744173 0.81 KDM4E (0.52) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3230860 0.76 KDM4E (0.61) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22345013 0.76 KDM4E (0.80) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30009450 0.76 KDM4E (0.80) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7921525 0.73 KDM4E (0.57) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5534604 0.72 PDE4A (0.52) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL23796582 0.72 KDM4E (0.47) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30032015 0.72 KDM4E (0.47) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11929030 0.71 KDM4E (0.69) KDM4EPOLBHSD17B10USP2SMN1; 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 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.