SCHEMBL180769

SCHEMBL180769

CCCC(=O)OC(CC)C([O])=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 4/20 0.41
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
FFAR3 O14843 3/20 0.33
HDAC3 O15379 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
PRKCA P17252 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KLK7 P49862 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
SCHEMBL9065289 0.83 ALDH1A1 (0.46) ALDH1A1LMNAMAPTMAPK1CES2
SCHEMBL29176812 0.81 ALDH1A1 (0.44) ALDH1A1LMNAMAPTMAPK1CES2
SCHEMBL27521149 0.79 ALDH1A1 (0.43) ALDH1A1LMNAMAPTMAPK1PRKCA
SCHEMBL120571 0.76 LMNA (0.40) ALDH1A1LMNAMAPTMAPK1PRKCA
SCHEMBL8947471 0.75 MAPT (0.51) ALDH1A1LMNAMAPTMAPK1PRKCA
SCHEMBL15635118 0.75 ALDH1A1 (0.52) ALDH1A1LMNAMAPTMAPK1CES2
SCHEMBL5930621 0.75 ALDH1A1 (0.52) ALDH1A1LMNAMAPTMAPK1CES2
SCHEMBL2719944 0.75 ALDH1A1 (0.52) ALDH1A1LMNAMAPTMAPK1CES2
SCHEMBL17866535 0.75
SCHEMBL8830888 0.74 LMNA (0.48) ALDH1A1LMNAMAPTMAPK1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346845-B2 Anionic conjugates of glycosylated bacterial metabolite GLYCAN BIOSCIENCES LLC (US) 2016-05-24 US disclosed
US-9339781-B2 Polymer particles THE UNIVERSITY OF SYDNEY (AU) 2016-05-17 US disclosed
US-8993697-B2 Conducting and semiconducting organic materials Commonwealth Scientific and Industrial Research Institute Organisation (AU) 2015-03-31 US disclosed
US-20140329932-A1 POLYMER PARTICLES THE UNIVERSITY OF SYDNEY (AU) 2014-11-06 US disclosed
US-20140323422-A1 Anionic Conjugates of Glycosylated Bacterial Metabolite Glycosynnovations Pty Ltd (AU) 2014-10-30 US disclosed
US-20130289217-A1 CONDUCTING AND SEMICONDUCTING ORGANIC MATERIALS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2013-10-31 US disclosed
US-8501889-B2 Conducting and semiconducting organic materials COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2013-08-06 US disclosed
EP-2421877-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE Glycan Biosciences Pty Ltd (AU) 2012-02-29 EP disclosed
EP-2401304-A1 POLYMER PARTICLES The University Of Sydney (AU) 2012-01-04 EP disclosed
US-20110190233-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GLYCAN BIOSCIENCES PTY LTD (AU) 2011-08-04 US disclosed
US-20110166298-A1 CONDUCTING AND SEMICONDUCTING ORGANIC MATERIALS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL ORGANISATION (AU) 2011-07-07 US disclosed
US-20100130581-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN THE UNIVERSITY OF QUEENSLAND 2010-05-27 US disclosed
US-5661153-A FOR TREATING ALLERGIES, ASTHMA, DERMATITIS, GRAFT REJECTIONS JAPAN ENERGY CORPORATION (JP) 1997-08-26 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-20110190233-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GNE, CD44, FUT5 ALDH1A1 1240/4885LMNA 3251/4885MAPT 3081/4885
US-20140323422-A1 Anionic Conjugates of Glycosylated Bacterial Metabolite GNE, CD44, FUT5 ALDH1A1 1240/4885LMNA 3251/4885MAPT 3081/4885
US-20100130581-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN OPRL1, CRH, OPRK1 ALDH1A1 2824/4885LMNA 2762/4885MAPT 2785/4885

“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.