SCHEMBL2408233

SCHEMBL2408233

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 4/20 0.46
TRPA1 O75762 1/20 0.41
SRC P12931 1/20 0.40
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 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
SCHEMBL2172503 0.98 ACP3 (0.47) ACP3TRPA1SRCPOLBCYP2D6
SCHEMBL2174320 0.85 ACP3 (0.45) ACP3TRPA1SRCPOLBCYP2D6
SCHEMBL2392797 0.85 ACP3 (0.45) ACP3SRCPOLBCYP2D6
SCHEMBL2352723 0.83 ACP3 (0.46) ACP3SRCPOLBCYP2D6
SCHEMBL2248870 0.83 ACP3 (0.43) ACP3POLBCYP2D6
Hydrogen Peroxide SCHEMBL8609521 0.82 ACP3 (0.50) ACP3SRCPOLBCYP2D6LMNA
SCHEMBL31315617 0.82 ACP3 (0.50) ACP3SRCPOLBCYP2D6LMNA
Hydrochloric Acid SCHEMBL2392993 0.82 ACP3 (0.45) ACP3SRCPOLBCYP2D6
SCHEMBL2173897 0.82 ACP3 (0.45) ACP3TRPA1SRCCYP2D6ALDH1A1
SCHEMBL2408234 0.79 ACP3 (0.41) ACP3TRPA1SRCPOLBLMNA

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-20110213062-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkyphosphinic 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-20110213062-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkyphosphinic Acids and Esters and Salts Thereof and Use Thereof HAO2, HACL2, ACSL3 ACP3 1325/4885TRPA1 4115/4885SRC 360/4885

“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.