SCHEMBL127667

SCHEMBL127667

COc1ccc2c(cc[n+]3c(C)c4cc(CO)c(CO)c(-c5ccc(-c6ccccc6)cc5)c4cc23)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.41
PDE4A P27815 8/20 0.41
PDE4B Q07343 8/20 0.41
PDE4C Q08493 8/20 0.41
PDE4D Q08499 8/20 0.41
PDE3B Q13370 8/20 0.41
PDE3A Q14432 8/20 0.41
PDE1A P54750 7/20 0.41
PDE1B Q01064 7/20 0.41
PDE1C Q14123 7/20 0.41
GAA P10253 5/20 0.33
MGAM O43451 4/20 0.33
SI P14410 4/20 0.33
MGAM2 Q2M2H8 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 4/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33

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
SCHEMBL195232 0.85 ALDH1A1 (0.39) GAAMEN1KMT2AKDM4EHPGD
SCHEMBL129945 0.84 GAA (0.35) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL127752 0.83 MAPT (0.36) GAAMEN1KMT2AKDM4EHPGD
SCHEMBL129668 0.81 PDE3B (0.48) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL195313 0.77 IDO1 (0.37) GAAMEN1KMT2AKDM4EHPGD
SCHEMBL128952 0.71 KDM4E (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL129965 0.70 PDE4A (0.39) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL14904332 0.68 PDE4A (0.54) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7823305 0.68 MAPT (0.68) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL128675 0.67 ALDH1A1 (0.39) PDE5APDE4APDE4BPDE4CPDE4D

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 PDE5A 2509/4885PDE4A 1469/4885PDE4B 1251/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PDE5A 2633/4885PDE4A 1919/4885PDE4B 1783/4885

“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.