SCHEMBL2397128

SCHEMBL2397128

CCCCCCCC(=O)OC(=O)c1ccco1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
HDAC3 O15379 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 2/20 0.43
RAB9A P51151 2/20 0.43
DNMT1 P26358 1/20 0.43
EPHX2 P34913 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL28356373 1.00 GAA (0.53) GAAHDAC3ALDH1A1MAPTTSHR
SCHEMBL27995502 0.99 GAA (0.52) GAAHDAC3ALDH1A1MAPTTSHR
SCHEMBL30774396 0.99 GAA (0.52) GAAHDAC3ALDH1A1MAPTTSHR
SCHEMBL28952856 0.98 GAA (0.51) GAAHDAC3ALDH1A1MAPTTSHR
SCHEMBL15537570 0.94 HDAC3 (0.49) GAAHDAC3ALDH1A1MAPTTSHR
SCHEMBL8925871 0.92 GAA (0.50) GAAEPHX2
SCHEMBL11583907 0.88 KMT2A (0.50) GAAHDAC3ALDH1A1MAPTKMT2A
SCHEMBL29054121 0.86 KMT2A (0.49) GAAHDAC3ALDH1A1MAPTKMT2A
SCHEMBL28275168 0.84 KMT2A (0.53) ALDH1A1TSHRKMT2AMEN1POLB
SCHEMBL7082818 0.82 KMT2A (0.51) GAAALDH1A1MAPTKMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1690862-B1 Fatty acid monoesters of sorbityl furfural and compositions for cosmetic and dermatological use GIULIANI SPA (IT) 2009-07-08 EP claimed
EP-1690862-A1 Fatty acid monoesters of sorbityl furfural and relative compositions for cosmetic and dermatological use Laboratori Fitocosmesi & Farmaceutici S.r.l. (IT) 2006-08-16 EP claimed
US-9782746-B2 Polymeric ionic liquids, methods of making and methods of use thereof THE UNIVERSITY OF TOLEDO (US) 2017-10-10 US disclosed
US-20160114309-A1 Polymeric Ionic Liquids, Methods of Making and Methods of Use Thereof THE UNIVERSITY OF TOLEDO (US) 2016-04-28 US disclosed
US-9249261-B2 Polymeric ionic liquids, methods of making and methods of use thereof THE UNIVERSITY OF TOLEDO (US) 2016-02-02 US disclosed
US-8734673-B2 Boron selective ionic liquids and polymeric ionic liquids, methods of making and methods of use thereof THE UNIVERSITY OF TOLEDO (US) 2014-05-27 US disclosed
US-20120111796-A1 Boron Selective Ionic Liquids and Polymeric Ionic Liquids, Methods of Making and Methods of Use Thereof UNIVERSITY OF TOLEDO (US) 2012-05-10 US disclosed
US-20110236295-A1 Polymeric Ionic Liquids, Methods of Making and Methods of Use Thereof UNIVERSITY OF TOLEDO (US) 2011-09-29 US disclosed
WO-2010017564-A1 BORON SELECTIVE IONIC LIQUIDS AND POLYMERIC IONIC LIQUIDS, METHODS OF MAKING AND METHODS OF USE THEREOF UNIVERSITY OF TOLEDO (US) 2010-02-11 WO disclosed
WO-2010017563-A1 POLYMERIC IONIC LIQUIDS, METHODS OF MAKING AND METHODS OF USE THEREOF UNIVERSITY OF TOLEDO (US) 2010-02-11 WO disclosed
EP-1690862-B1 Fatty acid monoesters of sorbityl furfural and compositions for cosmetic and dermatological use GIULIANI SPA (IT) 2009-07-08 EP disclosed
EP-1690862-A1 Fatty acid monoesters of sorbityl furfural and relative compositions for cosmetic and dermatological use Laboratori Fitocosmesi & Farmaceutici S.r.l. (IT) 2006-08-16 EP 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 (1 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-20120111796-A1 Boron Selective Ionic Liquids and Polymeric Ionic Liquids, Methods of Making and Methods of Use Thereof BCCIP, SLC6A12, BOLA2; BOLA2B GAA 3666/4885HDAC3 3915/4885ALDH1A1 4055/4885

“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.