SCHEMBL4968161

SCHEMBL4968161

CCc1ccccc1N(O)c1ccccc1CC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.46
GABRB2 P47870 3/20 0.46
MGLL Q99685 1/20 0.42
LMNA P02545 2/20 0.39
MAPT P10636 3/20 0.36
GAA P10253 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL29484238 0.86 GABRA1 (0.46) GABRA1GABRB2MGLLLMNAMAPT
SCHEMBL154994 0.86 GABRA1 (0.46) GABRA1GABRB2MGLLLMNAMAPT
SCHEMBL3398396 0.82 GABRA1 (0.43) GABRA1GABRB2MGLLLMNAMAPT
SCHEMBL3703551 0.80 MGLL (0.45) GABRA1GABRB2MGLLLMNAMAPT
SCHEMBL30901799 0.80 MGLL (0.45) GABRA1GABRB2MGLLLMNAMAPT
SCHEMBL30627912 0.79 GABRA1 (0.40) GABRA1GABRB2MGLLLMNAMAPT
SCHEMBL3732757 0.79 GABRA1 (0.40) GABRA1GABRB2MGLLLMNAMAPT
SCHEMBL709848 0.78 MAPT (0.46) GABRA1GABRB2MGLLLMNAMAPT
SCHEMBL8099691 0.78 MGLL (0.43) GABRA1GABRB2MGLLLMNAMAPT
SCHEMBL25474416 0.76 MGLL (0.42) GABRA1GABRB2MGLLLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080315155-A1 Diamines Having Reduced Color ALBEMARLE CORPORATION (US) 2008-12-25 US disclosed
US-20080262187-A1 Blends of Diamines Having Reduced Color ALBEMARLE CORPORATION (US) 2008-10-23 US disclosed
EP-1966122-A1 DIAMINES HAVING REDUCED COLOR Albermarle Corporation (US) 2008-09-10 EP disclosed
EP-1966265-A2 BLENDS OF DIAMINES HAVING REDUCED COLOR Albermarle Corporation (US) 2008-09-10 EP disclosed
WO-2007079367-A1 DIAMINES HAVING REDUCED COLOR ALBEMARLE CORPORATION (US) 2007-07-12 WO disclosed
WO-2007079365-A2 BLENDS OF DIAMINES HAVING REDUCED COLOR ALBEMARLE CORPORATION (US) 2007-07-12 WO disclosed
EP-1070044-B1 REDUCING THE COLORATION OF AROMATIC DIAMINES ALBEMARLE CORP (US) 2004-09-15 EP disclosed
EP-0993444-A1 STABILIZATION OF (HYDROCARBYLTHIO)AROMATIC AMINES AGAINST ODOR FORMATION ALBEMARLE CORPORATION (US) 2000-04-19 EP disclosed
US-5874619-A Reducing the coloration of aromatic diamines ALBEMARLE CORPORATION (US) 1999-02-23 US disclosed
WO-1998058908-A1 STABILIZATION OF (HYDROCARBYLTHIO)AROMATIC AMINES AGAINST ODOR FORMATION ALBEMARLE CORPORATION (US) 1998-12-30 WO disclosed
US-5840984-A Stabilization of (hydrocarbylthio) aromatic amines against odor formation ALBEMARLE CORPORATION (US) 1998-11-24 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 (2 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-20080262187-A1 Blends of Diamines Having Reduced Color DDT, DDC, AOC1 GABRA1 2317/4885GABRB2 2343/4885MGLL 2112/4885
US-20080315155-A1 Diamines Having Reduced Color DDT, DPYD, DDC GABRA1 2356/4885GABRB2 2092/4885MGLL 3740/4885

“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.