SCHEMBL128994

SCHEMBL128994

COc1c(-c2ccccc2)cc2c(cc[n+]3cc4c(OC)c(CO)c(CO)cc4cc23)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.38
PDE4A P27815 13/20 0.38
PDE4C Q08493 13/20 0.38
PDE4D Q08499 13/20 0.38
PDE5A O76074 11/20 0.38
PDE3B Q13370 11/20 0.38
PDE3A Q14432 11/20 0.38
PDE1A P54750 10/20 0.38
PDE1B Q01064 10/20 0.38
PDE1C Q14123 10/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
FABP4 P15090 3/20 0.33
FABP5 Q01469 3/20 0.33
SLC2A1 P11166 1/20 0.32
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30

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
SCHEMBL14930684 0.84 CYP3A4 (0.49) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL128952 0.75 KDM4E (0.40) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL128821 0.73 CYP3A4 (0.39) CYP3A4MAPT
SCHEMBL14926967 0.71 HPGD (0.37) CYP3A4MAPT
SCHEMBL129668 0.71 PDE3B (0.48) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL195168 0.71 CYP3A4 (0.56) CYP3A4MAPT
SCHEMBL127933 0.71 CYP3A4 (0.45) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL14903992 0.69 ACHE (0.36) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL127939 0.69 CYP3A4 (0.43) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL14926968 0.67 KDM4E (0.37) PDE4BPDE4APDE4CPDE4DPDE5A

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 5 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-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 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 (3 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 PDE4B 2021/4885PDE4A 2153/4885PDE4C 2006/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PDE4B 1251/4885PDE4A 1469/4885PDE4C 2096/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PDE4B 1783/4885PDE4A 1919/4885PDE4C 2456/4885

“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.