Hydroxyl Radical

Hydroxyl Radical

SCHEMBL3364688

[NH]C(=O)OC(O)c1ccccc1.[OH]

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MAPK1 P28482 1/20 0.45
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL5932263 0.83 LMNA (0.48) LMNAMAPK1CYP2D6SRCCES2
SCHEMBL1954 0.78 ESR1 (0.53) LMNAMAPK1CYP2D6SRCCES2
SCHEMBL5062426 0.77 ALDH1A1 (0.56) LMNAMAPK1CYP2D6SRCCES2
SCHEMBL2575993 0.77 CYP2D6 (0.50) LMNAMAPK1CYP2D6SRCCES2
SCHEMBL5933696 0.77 LMNA (0.46) LMNAMAPK1CYP2D6SRCCES2
SCHEMBL28198984 0.75 SRC (0.46) LMNAMAPK1CYP2D6SRCCES2
SCHEMBL1998001 0.75 HCAR2 (0.58) LMNAMAPK1CYP2D6SRCKMT2A
SCHEMBL28057808 0.75 LMNA (0.45) LMNAMAPK1CYP2D6SRCCES2
SCHEMBL19260228 0.75 TSHR (0.59) LMNAMAPK1CES2CES1KMT2A
SCHEMBL30722859 0.73 HPGD (0.48) LMNAMAPK1CYP2D6SRCCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137139-B1 PROCESS OF DEACETALISATION OF ALPHA AMINOACETALS CLARIANT SPECIALTY FINE CHEM (FR) 2014-09-10 EP disclosed
US-8609882-B2 Process for deacetalisation of α aminoacetals CLARIANT SPECIALITY FINE CHEMICALS (FRANCE) (FR) 2013-12-17 US disclosed
US-20100137633-A1 Process For Deacetalisation Of Alpha Aminoacetals CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2010-06-03 US disclosed
EP-2137139-A1 PROCESS OF DEACETALISATION OF ALPHA AMINOACETALS Clariant Specialty Fine Chemicals (France) (FR) 2009-12-30 EP disclosed
WO-2008125486-A1 PROCESS OF DEACETALISATION OF ALPHA AMINOACETALS CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2008-10-23 WO 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-20100137633-A1 Process For Deacetalisation Of Alpha Aminoacetals ALDH7A1, AADAT, AASDHPPT LMNA 1751/4885MAPK1 3595/4885CYP2D6 329/4885

“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.