SCHEMBL4350073

SCHEMBL4350073

CCCCCCCCCC1(CC(=O)OCC)OCCO1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 3/20 0.38
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.35
ABCB11 O95342 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL13124951 1.00 PRKCA (0.38) PRKCANAAADGKAGAAMAPT
SCHEMBL9532061 1.00 PRKCA (0.38) PRKCANAAADGKAGAAMAPT
SCHEMBL13124943 0.98 GAA (0.36) PRKCANAAADGKAGAAMAPT
SCHEMBL10207669 0.87 GAA (0.39) GAALMNAMEN1KMT2AL3MBTL1
SCHEMBL14169233 0.86 POLB (0.38)
SCHEMBL16204253 0.83 GAA (0.44) GAALMNAMEN1KMT2AL3MBTL1
SCHEMBL10207678 0.81 ALDH1A1 (0.38) GAALMNAMEN1KMT2AL3MBTL1
SCHEMBL4353419 0.80 GPR84 (0.41) MEN1KMT2A
SCHEMBL13124953 0.80 GPR84 (0.41) MEN1KMT2A
SCHEMBL8948233 0.80 GPR84 (0.41) MEN1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436210-B2 Amide compound and bacterial disease control agent for agricultural and horticultural use THE UNIVERSITY OF TOKYO (JP) 2013-05-07 US disclosed
US-20100261920-A1 AMIDE COMPOUND AND BACTERIAL DISEASE CONTROL AGENT FOR AGRICULTURAL AND HORTICULTURAL USE THE UNIVERSITY OF TOKYO (JP) 2010-10-14 US disclosed
US-20100261920-A1 AMIDE COMPOUND AND BACTERIAL DISEASE CONTROL AGENT FOR AGRICULTURAL AND HORTICULTURAL USE THE UNIVERSITY OF TOKYO (JP) 2010-10-14 US disclosed
EP-2077109-A1 AMIDE COMPOUND, SALT THEREOF, AND BIOFILM REMOVER USING THEM The University of Tokyo (JP) 2009-07-08 EP disclosed
US-7498292-B2 Combinatorial libraries of autoinducer analogs, autoinducer agonists and antagonists, and methods of use thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2009-03-03 US disclosed
US-20080241081-A1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM REMOVER CONTAINING THE SAME UNIVERSITY OF TOKYO (JP) 2008-10-02 US disclosed
US-20080241081-A1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM REMOVER CONTAINING THE SAME UNIVERSITY OF TOKYO (JP) 2008-10-02 US disclosed
US-20080027115-A1 COMBINATORIAL LIBRARIES OF AUTOINDUCER ANALOGS, AUTOINDUCER AGONISTS AND ANTAGONISTS, AND METHODS OF USE THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-01-31 US disclosed
EP-1578359-A2 COMBINATORIAL LIBRARIES OF AUTOINDUCER ANALOGS, AUTOINDUCER AGONISTS AND ANTAGONISTS, AND METHODS OF USE THEREOF The Research Foundation of the State University of New York (US) 2005-09-28 EP disclosed
US-20040115732-A1 Combinatorial libraries of autoinducer analogs, autoinducer agonists and antagonists, and methods of use thereof RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2004-06-17 US disclosed
WO-2004016213-A2 COMBINATORIAL LIBRARIES OF AUTOINDUCER ANALOGS, AUTOINDUCER AGONISTS AND ANTAGONISTS, AND METHODS OF USE THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2004-02-26 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 (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-20080241081-A1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM REMOVER CONTAINING THE SAME H1-0, H1-10, H1-4 PRKCA 3910/4885NAAA 67/4885DGKA 4468/4885
US-20080027115-A1 COMBINATORIAL LIBRARIES OF AUTOINDUCER ANALOGS, AUTOINDUCER AGONISTS AND ANTAGONISTS, AND METHODS OF USE THEREOF QRFPR, CASR, BLVRB PRKCA 3315/4885NAAA 423/4885DGKA 1921/4885
US-20100261920-A1 AMIDE COMPOUND AND BACTERIAL DISEASE CONTROL AGENT FOR AGRICULTURAL AND HORTICULTURAL USE BROX, NAAA, H1-2 PRKCA 4461/4885NAAA 2/4885DGKA 4067/4885

“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.