SCHEMBL14926990

SCHEMBL14926990

COc1cc(Cc2ccccc2)c(-c2cc3cc(CO)c(CO)cc3c(N(C)C)[n+]2C)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.38
▸ PDE4B Q07343 3/20 0.38
▸ PDE4C Q08493 3/20 0.38
▸ PDE4D Q08499 3/20 0.38
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ PDE5A O76074 2/20 0.35
▸ PDE1A P54750 2/20 0.35
▸ PDE1B Q01064 2/20 0.35
▸ PDE3B Q13370 2/20 0.35
▸ PDE1C Q14123 2/20 0.35
▸ PDE3A Q14432 2/20 0.35
▸ CYP11B1 P15538 2/20 0.35
▸ CYP11B2 P19099 2/20 0.35

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
SCHEMBL16510678 0.91 PDE10A (0.37) PDE3BPDE3A
SCHEMBL14903974 0.82 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL14926987 0.78 USP2 (0.40) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL14926973 0.78 HTT (0.37) —
SCHEMBL16378989 0.75 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL14903970 0.74 PDE10A (0.40) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL16383319 0.73 ACACA (0.38) —
SCHEMBL14903979 0.72 MTNR1A (0.43) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL16378994 0.71 ACHE (0.37) —
SCHEMBL16379001 0.70 ACHE (0.36) —

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-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 — — 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 PDE4A 2153/4885PDE4B 2021/4885PDE4C 2006/4885

“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.

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