SCHEMBL2097975

SCHEMBL2097975

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.35
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1562024 0.74 TSHR (0.38) FFAR3TSHRALDH1A1CA2MAPK1
SCHEMBL10951913 0.74 ALDH1A1 (0.38) FFAR3TSHRALDH1A1CA2MAPK1
SCHEMBL8689396 0.74 TSHR (0.38) FFAR3TSHRALDH1A1CA2MAPK1
SCHEMBL11426151 0.72 ALDH1A1 (0.36) FFAR3TSHRALDH1A1CA2MAPK1
SCHEMBL28529411 0.72 TSHR (0.32) FFAR3TSHRALDH1A1CA2MAPK1
SCHEMBL8725998 0.72 ALDH1A1 (0.32) FFAR3TSHRALDH1A1CA2MAPK1
SCHEMBL29174 0.72 HSPD1 (0.36) FFAR3TSHRALDH1A1CA2MAPK1
SCHEMBL2102121 0.72 KIF11 (0.33) FFAR3TSHRALDH1A1CA2MAPK1
SCHEMBL3061236 0.72 ALDH1A1 (0.32) FFAR3TSHRALDH1A1CA2MAPK1
SCHEMBL2318149 0.71 CYP2C9 (0.33) TSHRALDH1A1CA2MAPK1CYP2D6

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 11 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
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 FFAR3 3841/4885TSHR 4478/4885ALDH1A1 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.