SCHEMBL129668

SCHEMBL129668

COc1ccc2c(cc[n+]3cc4cc(CO)c(CO)c(-c5ccc(-c6ccccc6)cc5)c4cc23)c1OC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 19/20 0.48
PDE3A Q14432 19/20 0.48
PDE4A P27815 18/20 0.48
PDE4B Q07343 18/20 0.48
PDE4C Q08493 18/20 0.48
PDE4D Q08499 18/20 0.48
PDE5A O76074 17/20 0.48
PDE1A P54750 15/20 0.48
PDE1B Q01064 15/20 0.48
PDE1C Q14123 15/20 0.48
CYP3A4 P08684 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
SCHEMBL179696 0.85 MAPT (0.46) CYP3A4MAPT
SCHEMBL129965 0.83 PDE4A (0.39) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL128940 0.82 MAPT (0.42) CYP3A4MAPT
SCHEMBL127667 0.81 PDE5A (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL195535 0.76 MAPT (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL128994 0.71 PDE4B (0.38) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16186790 0.70 MAPT (0.31) CYP3A4MAPT
SCHEMBL127939 0.70 CYP3A4 (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL14904332 0.70 PDE4A (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7821022 0.70 MAPT (0.65) PDE4APDE4BPDE4CPDE4DCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 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 (2 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PDE3B 1735/4885PDE3A 1963/4885PDE4A 1469/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PDE3B 2124/4885PDE3A 2410/4885PDE4A 1919/4885

“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.