SCHEMBL10012010

SCHEMBL10012010

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 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
SCHEMBL10011209 0.82 CYP2C19 (0.41) CYP2C19HIF1ACYP2D6TSHRHMGCR
SCHEMBL19347420 0.79 ALDH1A1 (0.37) CYP2C19HIF1ACYP2D6TSHRHMGCR
SCHEMBL10010636 0.77 CYP2C19 (0.38) CYP2C19HIF1ACYP2D6TSHRHMGCR
SCHEMBL10011205 0.76 CYP2C19 (0.36) CYP2C19HIF1ACYP2D6TSHRHMGCR
SCHEMBL10012294 0.75 TDP1 (0.36) CYP2C19HIF1ACYP2D6TSHRHMGCR
SCHEMBL10012423 0.71 CYP2C19 (0.65) CYP2C19HIF1ACYP2D6TSHRHMGCR
SCHEMBL10010809 0.70 CYP2C19 (0.44) CYP2C19HIF1ACYP2D6TSHRHMGCR
SCHEMBL12820432 0.69 CPT2 (0.48) CYP2C19HIF1ACYP2D6TSHRHMGCR
SCHEMBL10011203 0.67 CYP2C19 (0.41) CYP2C19HIF1ACYP2D6TSHRHMGCR
SCHEMBL25634370 0.66 TSHR (0.55) CYP2C19HIF1ACYP2D6TSHRHMGCR

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 3763/4885HIF1A 3982/4885CYP2D6 2905/4885

“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.