SCHEMBL10010431

SCHEMBL10010431

N#CCCCC(CCCC#N)(CC(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 2/20 0.33
ALDH1A1 P00352 1/20 0.33
FFAR1 O14842 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SLC1A2 P43004 1/20 0.32
ACLY P53396 1/20 0.31

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
SCHEMBL10010780 0.94 CPT2 (0.36) CPT2ALDH1A1FFAR1TDP1TSHR
SCHEMBL10011226 0.88 MEN1 (0.37) CPT2ALDH1A1FFAR1TDP1TSHR
SCHEMBL10012165 0.86 CYP1A2 (0.31) CPT2CYP2D6CYP2C19ACLY
SCHEMBL10010812 0.84 TSHR (0.38) CPT2ALDH1A1FFAR1TDP1TSHR
SCHEMBL10012171 0.81 CYP1A2 (0.33) CPT2FFAR1TDP1CYP2D6CYP2C19
SCHEMBL10012269 0.79 MEN1 (0.40) CPT2ALDH1A1FFAR1TDP1TSHR
SCHEMBL10011026 0.77 MEN1 (0.34) TSHRCYP2D6CYP2C19HIF1AMEN1
SCHEMBL10012004 0.74 MEN1 (0.32) MEN1KMT2A
SCHEMBL10654543 0.73 BLM (0.39) CPT2ALDH1A1FFAR1TDP1TSHR
SCHEMBL285165 0.72 TDP1 (0.41) CPT2ALDH1A1FFAR1TDP1TSHR

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 2 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
US-20120171581-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2012-07-05 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 (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 CPT2 1719/4885ALDH1A1 2965/4885FFAR1 1212/4885

“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.