SCHEMBL4892428

SCHEMBL4892428

CN(CC(C)(C)CO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
NUDT1 P36639 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
ESR1 P03372 1/20 0.35
HTT P42858 1/20 0.34
FAAH O00519 1/20 0.34
PHGDH O43175 1/20 0.34

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
SCHEMBL11556871 0.79 MEN1 (0.41) CA12CA2CA9MEN1KMT2A
SCHEMBL10159871 0.79 CA12 (0.44) CA12CA2CA9MEN1KMT2A
SCHEMBL22537753 0.77 CA12 (0.37) CA12CA2CA9MEN1KMT2A
SCHEMBL28015704 0.76 NR1H2 (0.39) CA12CA2CA9MEN1KMT2A
SCHEMBL14481321 0.75 KMT2A (0.44) CA12CA2CA9MEN1KMT2A
SCHEMBL6699279 0.75 TAAR1 (0.45) CA12CA2CA9MEN1KMT2A
SCHEMBL22431448 0.74 CA12 (0.35) CA12CA2CA9MEN1KMT2A
SCHEMBL22781056 0.74 SIGMAR1 (0.37) CA12CA2CA9MEN1KMT2A
SCHEMBL7741833 0.73 CA12 (0.47) CA12CA2CA9MEN1KMT2A
SCHEMBL7270829 0.73 CARM1 (0.47) CA12CA9CYP3A4SMN1; SMN2ALDH1A1

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
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2006-02-09 US disclosed
EP-0106055-B1 PROCESS FOR THE PREPARATION OF CARBAMIC ACID ESTERS BASF Aktiengesellschaft (DE) 1986-07-23 EP disclosed
US-4537960-A REACTING UREA WITH AN AMINOPROPANOL BASF AKTIENGESELLSCHAFT (DE) 1985-08-27 US disclosed
EP-0106055-A2 Process for the preparation of carbamic acid esters BASF Aktiengesellschaft (DE) 1984-04-25 EP 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-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith KRT18, CDC73, TYR CA12 1707/4885CA2 2754/4885CA9 488/4885

“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.