SCHEMBL128846

SCHEMBL128846

COc1cc(Cc2nccc3c(OC)c(OC)c(-c4ccccc4)cc23)cc(CO)c1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.42
PDE3A Q14432 7/20 0.42
PDE5A O76074 4/20 0.42
PDE4A P27815 4/20 0.42
PDE1A P54750 4/20 0.42
PDE1B Q01064 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
PDE1C Q14123 4/20 0.42
TUBB4A P04350 6/20 0.41
TUBB P07437 6/20 0.41
TUBA3C P0DPH7 6/20 0.41
TUBA1B P68363 6/20 0.41
TUBA4A P68366 6/20 0.41
TUBB4B P68371 6/20 0.41
TUBB3 Q13509 6/20 0.41
TUBB2A Q13885 6/20 0.41
TUBB8 Q3ZCM7 6/20 0.41
TUBA3E Q6PEY2 6/20 0.41

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
SCHEMBL192576 0.88 TUBB4A (0.46) PDE3BPDE3APDE5APDE4APDE1A
SCHEMBL128801 0.84 PDE10A (0.37) PDE3BPDE3APDE5APDE4APDE1A
SCHEMBL151891 0.82 PDE10A (0.55) PDE3BPDE3APDE5APDE4APDE1A
SCHEMBL127901 0.75 PDE10A (0.39) PDE3BPDE3APDE5APDE4APDE1A
SCHEMBL129991 0.74 RAD52 (0.40) PDE3BPDE3APDE5APDE4APDE1A
SCHEMBL149392 0.73 PDE10A (0.55) PDE3BPDE3APDE5APDE4APDE1A
SCHEMBL8555054 0.70 PDE10A (0.56) PDE3BPDE3APDE5APDE4APDE1A
SCHEMBL147885 0.68 PDE10A (0.75) PDE3BPDE3APDE5APDE4APDE1A
SCHEMBL11722846 0.68 TUBB4A (0.49) PDE3BPDE3APDE5APDE4APDE1A
Hydrochloric Acid SCHEMBL11722812 0.67 PDE10A (0.48) PDE3BPDE3APDE5APDE4APDE1A

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 PDE3B 1851/4885PDE3A 1652/4885PDE5A 2129/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PDE3B 1735/4885PDE3A 1963/4885PDE5A 2509/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PDE3B 2124/4885PDE3A 2410/4885PDE5A 2633/4885

“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.