SCHEMBL147545

SCHEMBL147545

COc1ccc(Cc2nccc3c(OC)c(OC)ccc23)c(-c2ccc(-c3ccccc3)cc2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
CASP3 P42574 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MAPT P10636 6/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
GAA P10253 4/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 6/20 0.35
POLB P06746 3/20 0.35
HTT P42858 1/20 0.35
USP2 O75604 2/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 2/20 0.35
HIF1A Q16665 2/20 0.35
PDE10A Q9Y233 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
SCHEMBL129901 0.90 RAB9A (0.40) RAB9AIDO1TDO2CASP3SENP6
SCHEMBL150560 0.73 RAB9A (0.59) RAB9AIDO1TDO2CASP3SENP6
SCHEMBL2462360 0.71 RAB9A (0.60) RAB9AMAPTSMN1; SMN2GAAHPGD
SCHEMBL2454399 0.71 PDE10A (0.67) RAB9AMAPTSMN1; SMN2HPGDKDM4E
Hydrochloric Acid SCHEMBL2454169 0.71 RAB9A (0.62) RAB9AMAPTSMN1; SMN2GAAHPGD
SCHEMBL151891 0.70 PDE10A (0.55) RAB9AMAPTSMN1; SMN2HPGDKDM4E
SCHEMBL10867414 0.70 RAB9A (0.58) RAB9ACASP3SENP6MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7826371 0.70 PDE10A (0.67) RAB9AMAPTSMN1; SMN2HPGDKDM4E
SCHEMBL7281786 0.70 PDE4B (0.47) RAB9AMAPTSMN1; SMN2GAAHPGD
SCHEMBL28236852 0.68 PDE4A (0.44) RAB9AIDO1TDO2MAPTSMN1; SMN2

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 8 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-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-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
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 WO disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 WO 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 RAB9A 1144/4885IDO1 588/4885TDO2 1288/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L RAB9A 964/4885IDO1 864/4885TDO2 1266/4885

“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.