SCHEMBL2097282

SCHEMBL2097282

CCC(C(=O)O)(C(=O)OC)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.35
DGAT1 O75907 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
SRC P12931 1/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR3 O14843 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL12851387 0.78 KCNN4 (0.34) KCNN4DGAT1SRCTSHRMEN1
SCHEMBL2098303 0.78 CYP4F2 (0.42) ALDH1A1MEN1THRBKMT2AEGLN1
SCHEMBL115741 0.78 FFAR3 (0.41) ALDH1A1TSHRMEN1CYP1A2THRB
SCHEMBL17763305 0.77 FFAR3 (0.38) ALDH1A1TSHRMEN1CYP1A2THRB
SCHEMBL221073 0.77 PTPN1 (0.40) KCNN4DGAT1ALDH1A1POLBSRC
SCHEMBL27968769 0.76 MEN1 (0.41) ALDH1A1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL3267215 0.75 FFAR3 (0.39) ALDH1A1TSHRMEN1CYP1A2THRB
Hydrochloric Acid SCHEMBL28434900 0.75 FFAR3 (0.39) ALDH1A1TSHRMEN1CYP1A2THRB
SCHEMBL28419811 0.75 FFAR3 (0.39) ALDH1A1TSHRMEN1CYP1A2THRB
Water SCHEMBL5129171 0.75 FFAR3 (0.39) ALDH1A1TSHRMEN1CYP1A2THRB

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
US-8372300-B2 Additives for electrolyte solution and electrolyte solution OTSUKA CHEMICAL CO., LTD. (JP) 2013-02-12 US claimed
EP-2037468-B1 ADDITIVE FOR ELECTROLYTE SOLUTION AND ELECTROLYTE SOLUTION OTSUKA CHEMICAL CO LTD (JP) 2012-10-24 EP claimed
US-20120170172-A1 ADDITIVES FOR ELECTROLYTE SOLUTION AND ELECTROLYTE SOLUTION OKA AKINORI (JP) 2012-07-05 US claimed
US-8163195-B2 Additives for electrolyte solution and electrolyte solution OTSUKA CHEMICAL CO., LTD. (JP) 2012-04-24 US claimed
US-20090309060-A1 Additives for Electrolyte Solution and Electrolyte Solution OTSUKA CHEMICAL CO., LTD. (JP) 2009-12-17 US claimed
EP-2037468-A1 ADDITIVE FOR ELECTROLYTE SOLUTION AND ELECTROLYTE SOLUTION Otsuka Chemical Co., Ltd. (JP) 2009-03-18 EP claimed
US-8372300-B2 Additives for electrolyte solution and electrolyte solution OTSUKA CHEMICAL CO., LTD. (JP) 2013-02-12 US disclosed
EP-2037468-B1 ADDITIVE FOR ELECTROLYTE SOLUTION AND ELECTROLYTE SOLUTION OTSUKA CHEMICAL CO LTD (JP) 2012-10-24 EP disclosed
US-20120170172-A1 ADDITIVES FOR ELECTROLYTE SOLUTION AND ELECTROLYTE SOLUTION OKA AKINORI (JP) 2012-07-05 US disclosed
US-8163195-B2 Additives for electrolyte solution and electrolyte solution OTSUKA CHEMICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-20090309060-A1 Additives for Electrolyte Solution and Electrolyte Solution OTSUKA CHEMICAL CO., LTD. (JP) 2009-12-17 US disclosed
EP-2037468-A1 ADDITIVE FOR ELECTROLYTE SOLUTION AND ELECTROLYTE SOLUTION Otsuka Chemical Co., Ltd. (JP) 2009-03-18 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-20090309060-A1 Additives for Electrolyte Solution and Electrolyte Solution SLC9A1, SLC26A3, AQP1 KCNN4 31/4885DGAT1 2888/4885ALDH1A1 342/4885

“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.