SCHEMBL3471862

SCHEMBL3471862

CCCCOP(=O)([O-])OCCCC.CCCCc1[nH]cc[n+]1CC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.38
AKT1 P31749 2/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
AGTR1 P30556 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP3A4 P08684 1/20 0.34
TERT O14746 1/20 0.30
UCHL3 P15374 1/20 0.30
MAPK14 Q16539 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
SCHEMBL3474149 0.91 CDC25A (0.37) CDC25AAKT1LMNAESR1ADORA3
Diethyl Hydrogen Phosphate SCHEMBL3470090 0.91 LMNA (0.30) CDC25AAKT1LMNAESR1ADORA3
SCHEMBL3470365 0.85 CDC25A (0.38) CDC25AAKT1LMNAESR1ADORA3
Hydrochloric Acid SCHEMBL2933737 0.80 HRH3 (0.32)
Iodide SCHEMBL6005797 0.80 HRH3 (0.32)
SCHEMBL16700775 0.79 ALDH1A1 (0.31)
Sulfuric Acid SCHEMBL6005800 0.79 CA2 (0.33) KCNH2
SCHEMBL3472692 0.78
SCHEMBL2321702 0.78 CDC25A (0.39) CDC25AAKT1LMNAESR1ADORA3
Diethyl Hydrogen Phosphate SCHEMBL3469560 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8287627-B2 Piperazinium trifluoroacetate compound and carbon dioxide absorbent using the same HYUNDAI MOTOR COMPANY (KR) 2012-10-16 US claimed
US-20100326277-A1 PIPERAZINIUM TRIFLUOROACETATE COMPOUND AND CARBON DIOXIDE ABSORBENT USING THE SAME HYUNDAI MOTOR COMPANY (KR) 2010-12-30 US claimed
US-8287627-B2 Piperazinium trifluoroacetate compound and carbon dioxide absorbent using the same HYUNDAI MOTOR COMPANY (KR) 2012-10-16 US disclosed
US-20100326277-A1 PIPERAZINIUM TRIFLUOROACETATE COMPOUND AND CARBON DIOXIDE ABSORBENT USING THE SAME HYUNDAI MOTOR COMPANY (KR) 2010-12-30 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-20100326277-A1 PIPERAZINIUM TRIFLUOROACETATE COMPOUND AND CARBON DIOXIDE ABSORBENT USING THE SAME SLC16A7, SLC16A1, SLC16A3 CDC25A 1914/4885AKT1 3323/4885LMNA 4277/4885

“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.