SCHEMBL10010971

SCHEMBL10010971

C#CCCCC(=O)OCC#C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.42
EPHX2 P34913 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
NPC1 O15118 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL10012695 0.94 GSTP1 (0.57) GSTP1L3MBTL1MAPTCYP1A2CYP2D6
SCHEMBL10011454 0.89 GSTP1 (0.59) GSTP1L3MBTL1MAPTCYP1A2TSHR
SCHEMBL1482992 0.89 GSTP1 (0.65) GSTP1L3MBTL1MAPTCYP1A2CYP2D6
SCHEMBL10011215 0.86 GSTP1 (0.62) GSTP1L3MBTL1MAPTCYP1A2CYP2D6
SCHEMBL10011515 0.86 GSTP1 (0.49) GSTP1L3MBTL1MAPTCYP1A2CYP2D6
SCHEMBL11538420 0.86 GSTP1 (0.62) GSTP1L3MBTL1MAPTCYP1A2CYP2D6
SCHEMBL11538433 0.86 GSTP1 (0.62) GSTP1L3MBTL1MAPTCYP1A2CYP2D6
SCHEMBL10012003 0.86 GSTP1 (0.50) GSTP1L3MBTL1MAPTCYP1A2CYP2D6
SCHEMBL10010841 0.86 GSTP1 (0.42) GSTP1L3MBTL1MAPTCYP1A2CYP2D6
SCHEMBL4446043 0.84 GSTP1 (0.53) GSTP1L3MBTL1MAPTTSHREPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9130244-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2015-09-08 US disclosed
EP-2908376-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2015-08-19 EP disclosed
CN-104795595-A Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2015-07-22 CN disclosed
CN-102498605-B Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2015-05-20 CN disclosed
EP-2479831-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2012-07-25 EP disclosed
US-20120171581-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2012-07-05 US disclosed
CN-102498605-A Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2012-06-13 CN 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-20120171581-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME SLC8A1, OR10J3, SLC8B1 GSTP1 3928/4885L3MBTL1 3802/4885MAPT 4867/4885

“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.