SCHEMBL14903992

SCHEMBL14903992

COc1c(-c2ccc(-c3ccccc3)cc2)cc2c(ccc3c2cc2cc(CO)c(CO)cc2[n+]3C)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.36
PDE4B Q07343 5/20 0.33
PDE4A P27815 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
BACE1 P56817 1/20 0.33
MGAM O43451 2/20 0.32
GAA P10253 2/20 0.32
SI P14410 2/20 0.32
MGAM2 Q2M2H8 2/20 0.32
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3A Q14432 1/20 0.32
RAB9A P51151 2/20 0.32
ACACA Q13085 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL14904019 0.79 POLB (0.38) PDE4BPDE4APDE4CPDE4DBACE1
SCHEMBL128952 0.76 KDM4E (0.40) PDE4BPDE4APDE4CPDE4DBACE1
SCHEMBL14903991 0.74 PDE4A (0.32) PDE4BPDE4APDE4CPDE4DBACE1
SCHEMBL14904027 0.70 PDCD1 (0.39) PDE4BPDE4APDE4CPDE4DBACE1
SCHEMBL128994 0.69 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL14903927 0.69 KDM4E (0.38) PDE4BPDE4APDE4CPDE4DBACE1
SCHEMBL14926967 0.68 HPGD (0.37) ACHERAB9AACACAKDM4EALDH1A1
SCHEMBL14903984 0.67 FYN (0.38) PDE4BPDE4APDE4CPDE4DMGAM
SCHEMBL14906875 0.66 PDGFRB (0.48) GAAACACAKDM4EALDH1A1SMN1; SMN2
SCHEMBL128801 0.66 PDE10A (0.37) ACHEPDE4BPDE4APDE4CPDE4D

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-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 ACHE 4155/4885PDE4B 2010/4885PDE4A 1953/4885

“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.