SCHEMBL844727

SCHEMBL844727

O=C(CC(=O)Oc1ccccc1C(=O)O)Oc1ccccc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.70
HSD17B10 Q99714 7/20 0.70
HPGD P15428 5/20 0.70
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
RECQL P46063 1/20 0.65
ALDH1A1 P00352 8/20 0.63
ESR1 P03372 1/20 0.63
ITGB3 P05106 1/20 0.63
ITGA2B P08514 1/20 0.63
HMGB1 P09429 1/20 0.63
TSHR P16473 1/20 0.63
GGT1 P19440 1/20 0.63
PTGS1 P23219 1/20 0.63
PTGS2 P35354 1/20 0.63
BLM P54132 1/20 0.63
NAPRT Q6XQN6 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
MAPT P10636 2/20 0.61
LMNA P02545 1/20 0.56

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
SCHEMBL844726 0.92 KDM4E (0.66) KDM4EHSD17B10HPGDKMT2AMEN1
SCHEMBL17787232 0.91 KDM4E (0.60) KDM4EHSD17B10HPGDKMT2AMEN1
SCHEMBL11065761 0.89 KDM4E (0.67) KDM4EHSD17B10HPGDKMT2AMEN1
Diaspirin SCHEMBL40799 0.88 KDM4E (0.75) KDM4EHSD17B10HPGDKMT2AMEN1
Diaspirin SCHEMBL30735506 0.88 KDM4E (0.75) KDM4EHSD17B10HPGDKMT2AMEN1
SCHEMBL8436639 0.86 KDM4E (0.63) KDM4EHSD17B10HPGDKMT2AMEN1
SCHEMBL27145067 0.86 KDM4E (0.58) KDM4EHSD17B10HPGDKMT2AMEN1
SCHEMBL13006825 0.85 KDM4E (0.72) KDM4EHSD17B10HPGDKMT2AMEN1
Bromoaspirin SCHEMBL6691615 0.85 KDM4E (0.61) KDM4EHSD17B10HPGDKMT2AMEN1
SCHEMBL4401026 0.85 KDM4E (0.61) KDM4EHSD17B10HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9011734-B2 Ligand exchange thermochromic, (LETC), systems PLEOTINT, L.L.C. (US) 2015-04-21 US claimed
US-8018639-B2 Ligand exchange thermochromic, (LETC), systems PLEOTINT, L.L.C. (US) 2011-09-13 US claimed
US-20090283728-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, LLC (US) 2009-11-19 US claimed
EP-2082005-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS Pleotint, L.L.C. (US) 2009-07-29 EP claimed
US-20080100902-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, LLC (US) 2008-05-01 US claimed
WO-2008028128-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, L.L.C. (US) 2008-03-06 WO claimed
US-9782432-B2 Polymers and methods thereof for wound healing RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-10-10 US disclosed
US-20160175343-A1 POLYMERS AND METHODS THEREOF FOR WOUND HEALING RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-06-23 US disclosed
US-9351980-B2 Di-aspirin derivatives THE UNIVERSITY OF WOLVERHAMPTON (GB) 2016-05-31 US disclosed
US-9351980-B2 Di-aspirin derivatives THE UNIVERSITY OF WOLVERHAMPTON (GB) 2016-05-31 US disclosed
US-20140120057-A1 POLYMERS AND METHODS THEREOF FOR WOUND HEALING RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-05-01 US disclosed
US-20130035317-A1 Di-Aspirin Derivatives THE UNIVERISTY OF WOLVERHAMPTON (GB) 2013-02-07 US disclosed
US-20130022569-A1 HYDROGELS NIH - DEITR 2013-01-24 US disclosed
US-20130022569-A1 HYDROGELS NIH - DEITR 2013-01-24 US disclosed
EP-2436750-A2 Ligand exchange thermochromic, (LETC), systems Pleotint, L.L.C. (US) 2012-04-04 EP disclosed
EP-2434000-A2 Ligand exchange thermochromic, (LETC), systems Pleotint, L.L.C. (US) 2012-03-28 EP disclosed
WO-2011098839-A2 DI-ASPIRIN DERIVATIVES THE UNIVERSITY OF WOLVERHAMPTON (GB) 2011-08-18 WO disclosed
US-20090196928-A1 Biocompatible hydrogel compositions HNOJEWYI OLEXANDER 2009-08-06 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 (5 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-20160175343-A1 POLYMERS AND METHODS THEREOF FOR WOUND HEALING COL1A1, FGB, CD68 KDM4E 1543/4885HSD17B10 2079/4885HPGD 318/4885
US-20090196928-A1 Biocompatible hydrogel compositions CRYAA, AADAC, CD44 KDM4E 3941/4885HSD17B10 1875/4885HPGD 907/4885
US-20130022569-A1 HYDROGELS PUF60, EPAS1, EGLN3 KDM4E 1634/4885HSD17B10 1017/4885HPGD 818/4885
US-20140120057-A1 POLYMERS AND METHODS THEREOF FOR WOUND HEALING COL1A1, FGB, CD68 KDM4E 1543/4885HSD17B10 2079/4885HPGD 318/4885
US-20130035317-A1 Di-Aspirin Derivatives SDHA, DLD, DPYD KDM4E 2764/4885HSD17B10 987/4885HPGD 21/4885

“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.