SCHEMBL3474149

SCHEMBL3474149

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.37
LMNA P02545 1/20 0.37
ESR1 P03372 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AGTR1 P30556 1/20 0.37
AKT1 P31749 1/20 0.37
ADRA1A P35348 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP3A4 P08684 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
SCHEMBL3471862 0.91 CDC25A (0.38) CDC25ALMNAESR1ADORA3AGTR1
SCHEMBL3470365 0.84 CDC25A (0.38) CDC25ALMNAESR1ADORA3AGTR1
SCHEMBL4366351 0.82 HRH3 (0.32) LMNA
Diethyl Hydrogen Phosphate SCHEMBL3470090 0.82 LMNA (0.30) CDC25ALMNAESR1ADORA3AGTR1
Phosphoric Acid SCHEMBL2877179 0.81 GGPS1 (0.39) LMNAESR1ADORA3ADRA1AKCNH2
Bromide SCHEMBL4479557 0.80 HRH3 (0.32) LMNA
SCHEMBL15798396 0.79 CYP3A4 (0.42) LMNAAKT1CYP3A4
SCHEMBL3471523 0.79
Acetic Acid SCHEMBL1662200 0.78 GPR84 (0.32)
SCHEMBL2321702 0.77 CDC25A (0.39) CDC25ALMNAESR1ADORA3AGTR1

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 1914/4885LMNA 4277/4885ESR1 4382/4885

“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.