SCHEMBL2392797

SCHEMBL2392797

CCP(=O)(O)C(CCN)c1ccccc1.[Ti]

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.45
HRH1 P35367 2/20 0.44
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.39
HTR2A P28223 1/20 0.38
ANPEP P15144 1/20 0.38

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
SCHEMBL2352723 0.98 ACP3 (0.46) ACP3HRH1POLBCYP2D6SRC
Hydrochloric Acid SCHEMBL2392993 0.97 ACP3 (0.45) ACP3HRH1POLBCYP2D6SRC
SCHEMBL2354091 0.86 ACP3 (0.44) ACP3HRH1POLBCYP2D6
SCHEMBL2408233 0.85 ACP3 (0.46) ACP3POLBCYP2D6SRC
SCHEMBL2172503 0.83 ACP3 (0.47) ACP3POLBCYP2D6SRC
SCHEMBL2354039 0.83 GABBR2 (0.45) ACP3HRH1POLBCYP2D6
SCHEMBL2352708 0.83 ACP3 (0.44) ACP3HRH1CYP2D6ANPEP
SCHEMBL31315617 0.81 ACP3 (0.50) ACP3POLBCYP2D6SRC
Hydrogen Peroxide SCHEMBL8609521 0.81 ACP3 (0.50) ACP3POLBCYP2D6SRC
SCHEMBL2352039 0.79 ACP3 (0.46) ACP3HRH1POLBSRCHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213061-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 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-20110213061-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof and Use Thereof HAO2, ACSL1, ACSL3 ACP3 970/4885HRH1 328/4885POLB 1736/4885

“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.