SCHEMBL10012423

SCHEMBL10012423

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

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.65
CYP2D6 P10635 2/20 0.65
HIF1A Q16665 2/20 0.65
TSHR P16473 2/20 0.65
HMGCR P04035 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
ADRA1A P35348 1/20 0.42
ALDH1A1 P00352 2/20 0.37
CPT2 P23786 2/20 0.37
KDM4E B2RXH2 1/20 0.37
FFAR1 O14842 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACLY P53396 3/20 0.34
TET2 Q6N021 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
SCHEMBL503703 0.80 TSHR (1.00) CYP2C19CYP2D6HIF1ATSHRHMGCR
SCHEMBL12820432 0.79 CPT2 (0.48) CYP2C19CYP2D6HIF1ATSHRHMGCR
SCHEMBL29020108 0.78 TSHR (0.94) CYP2C19CYP2D6HIF1ATSHRHMGCR
SCHEMBL10011209 0.77 CYP2C19 (0.41) CYP2C19CYP2D6HIF1ATSHRHMGCR
SCHEMBL9514654 0.74 ALDH1A1 (0.39) CYP2C19CYP2D6HIF1ATSHRHMGCR
SCHEMBL16419664 0.74 ALDH1A1 (0.39) CYP2C19CYP2D6HIF1ATSHRHMGCR
SCHEMBL3047206 0.73
SCHEMBL503894 0.73 CYP2C19 (0.75) CYP2C19CYP2D6HIF1ATSHRHMGCR
SCHEMBL14867210 0.73 CYP2C19 (0.75) CYP2C19CYP2D6HIF1ATSHRHMGCR
SCHEMBL9715119 0.73 CYP2C19 (0.75) CYP2C19CYP2D6HIF1ATSHRHMGCR

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 CYP2C19 3763/4885CYP2D6 2905/4885HIF1A 3982/4885

“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.