SCHEMBL2743785

SCHEMBL2743785

COc1ccc(-c2c(CO)cc(OC)c(OC)c2OC)c(CO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.49
PDE4A P27815 1/20 0.49
PDE1A P54750 1/20 0.49
PDE1B Q01064 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE3B Q13370 1/20 0.49
PDE1C Q14123 1/20 0.49
PDE3A Q14432 1/20 0.49
BAZ2B Q9UIF8 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
HSD17B10 Q99714 1/20 0.42
IDO1 P14902 2/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 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
SCHEMBL2743552 0.83 KDM4E (0.57) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL5534604 0.80 PDE4A (0.52) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL26768678 0.80 BAZ2B (0.56) PDE4APDE4BPDE4CPDE4DBAZ2B
SCHEMBL487944 0.75 HSD17B10 (0.62) PDE4APDE4BPDE4CPDE4DHSD17B10
SCHEMBL28043292 0.74 PDE5A (0.47) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL2743793 0.74 CYP3A4 (0.44)
SCHEMBL643649 0.73 CYP1A2 (0.62) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL31134292 0.73 PDE4B (0.47) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL28312125 0.73 PDE4A (0.52) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL11928777 0.72 PDE4A (0.44) PDE5APDE4APDE1APDE1BPDE4B

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 PDE5A 532/4885PDE4A 1791/4885PDE1A 4696/4885

“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.