SCHEMBL3471367

SCHEMBL3471367

CC[PH](O)(O)O.CCc1nccn1CC.CCc1nccn1CC.CCc1nccn1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 2/20 0.42
PLAA Q9Y263 1/20 0.42
ALPL P05186 1/20 0.41
KCNH2 Q12809 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
ABCB11 O95342 1/20 0.38
ADRA2B P18089 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TLR8 Q9NR97 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL28016960 1.00 ALPG (0.42) ALPGPLAAALPLKCNH2CYP1A2
SCHEMBL464450 0.88
SCHEMBL28104483 0.86 ALPG (0.44) ALPGPLAAALPLKCNH2CYP1A2
Bromide SCHEMBL28236460 0.86 ALPG (0.44) ALPGPLAAALPLKCNH2CYP1A2
Hydrochloric Acid SCHEMBL20262982 0.86 ALPG (0.46) ALPGPLAAALPLKCNH2CYP1A2
SCHEMBL3470623 0.83 AGTR1 (0.43) KCNH2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL23044738 0.81 ALPG (0.44) ALPGPLAAALPLKCNH2CYP1A2
Acetic Acid SCHEMBL28296570 0.81 ALPG (0.49) ALPGPLAAALPLKCNH2CYP1A2
SCHEMBL23044741 0.81 ALPG (0.41) ALPGPLAAALPLKCNH2CYP1A2
SCHEMBL27862505 0.80 ALPG (0.44) ALPGPLAAALPLKCNH2CYP1A2

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 ALPG 1705/4885PLAA 2818/4885ALPL 1297/4885

“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.