SCHEMBL4459604

SCHEMBL4459604

CCC(=O)C(C)=CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 4/20 0.38
FFAR3 O14843 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ATM Q13315 1/20 0.37
HTT P42858 3/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 2/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 2/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL4459602 1.00 ALDH1A1 (0.38) ALDH1A1TDP1FFAR3KDM4EATM
SCHEMBL1669090 0.81 ALDH1A1 (0.40) ALDH1A1TDP1FFAR3CES2CES1
SCHEMBL31538698 0.77 CES1 (0.54) ALDH1A1TDP1CES2CES1TSHR
SCHEMBL10503093 0.75 ALDH1A1 (0.35) ALDH1A1TDP1FFAR3KDM4EATM
SCHEMBL10503088 0.75 ALDH1A1 (0.35) ALDH1A1TDP1FFAR3KDM4EATM
SCHEMBL811235 0.75
SCHEMBL811234 0.75
Butane SCHEMBL2065960 0.74 HTT (0.39) ALDH1A1TDP1FFAR3KDM4EATM
Propionamide SCHEMBL27535105 0.73 HTT (0.36) ALDH1A1TDP1FFAR3KDM4EATM
SCHEMBL676424 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048461-A1 Regulators of Bacterial Signalling Pathways BIOSIGNAL LIMITED (AU) 2009-02-19 US disclosed
EP-1294705-B1 SYNTHESIS OF CYCLIC COMPOUNDS BIOSIGNAL LTD (AU) 2008-09-10 EP disclosed
EP-1765755-A4 REGULATORS OF BACTERIAL SIGNALLING PATHWAYS BIOSIGNAL LTD (AU) 2008-05-21 EP disclosed
EP-1765755-A1 REGULATORS OF BACTERIAL SIGNALLING PATHWAYS Biosignal Limited (AU) 2007-03-28 EP disclosed
WO-2005123645-A1 REGULATORS OF BACTERIAL SIGNALLING PATHWAYS BIOSIGNAL LIMITED (AU) 2005-12-29 WO disclosed
US-6958145-B2 Synthesis of cyclic compounds UNISEARCH LIMITED (AU) 2005-10-25 US disclosed
EP-1294705-A4 SYNTHESIS OF CYCLIC COMPOUNDS UNISEARCH LTD (AU) 2005-02-09 EP disclosed
US-20040110966-A1 Synthesis of cyclic compounds UNISEARCH LIMITED (AU) 2004-06-10 US disclosed
EP-1294705-A1 SYNTHESIS OF CYCLIC COMPOUNDS UNISEARCH LIMITED (AU) 2003-03-26 EP disclosed
WO-2002000639-A1 SYNTHESIS OF CYCLIC COMPOUNDS UNISEARCH LIMITED (AU) 2002-01-03 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-20090048461-A1 Regulators of Bacterial Signalling Pathways MRPL21, FNTB, ATF1 ALDH1A1 4794/4885TDP1 4736/4885FFAR3 2067/4885
US-20040110966-A1 Synthesis of cyclic compounds RFC2, POLR2H, REV1 ALDH1A1 2735/4885TDP1 4404/4885FFAR3 359/4885

“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.