SCHEMBL4967718

SCHEMBL4967718

Cc1ccc(CN(O)Cc2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.50
PYCR1 P32322 1/20 0.47
IDO1 P14902 2/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ACHE P22303 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
AGXT P21549 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL7047337 0.91 CYP2C19 (0.64) CYP2C19CYP1A2TDP1ALDH1A1TSHR
SCHEMBL7048734 0.79 LPL (0.46) IDO1CYP2A6TAAR1ALDH1A1
SCHEMBL13049988 0.78 HRH3 (0.50) CYP2C19PYCR1IDO1CYP1A2CYP2A6
SCHEMBL3400632 0.78 HRH3 (0.50) CYP2C19PYCR1IDO1CYP1A2CYP2A6
SCHEMBL13539183 0.77 CYP2C19 (0.79) CYP2C19PYCR1IDO1ALDH1A1TSHR
SCHEMBL18871792 0.77 PYCR1 (0.42) CYP2C19PYCR1ALDH1A1CNR2
SCHEMBL16312619 0.76 PYCR1 (0.65) CYP2C19PYCR1IDO1CYP1A2CYP2A6
SCHEMBL10979593 0.76 ESR1 (0.54) CYP2C19IDO1TAAR1TDP1ALDH1A1
SCHEMBL8781904 0.76 TSHR (0.46) CYP2C19CYP1A2ACHETSHR
SCHEMBL12374 0.76 HRH3 (0.67) CYP2C19PYCR1IDO1CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0941866-B1 Thermally imageable element having improved room light stability DU PONT (US) 2003-04-16 EP claimed
EP-0941866-A1 Non-photosensitive, thermally imageable element having improved room light stability E. I. du Pont de Nemours and Company (US) 1999-09-15 EP claimed
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-1966265-A2 BLENDS OF DIAMINES HAVING REDUCED COLOR Albermarle Corporation (US) 2008-09-10 EP disclosed
EP-1966122-A1 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-0941866-B1 Thermally imageable element having improved room light stability DU PONT (US) 2003-04-16 EP disclosed
US-6251571-B1 MIXTURE OF OXIDIZER, DYE AND HYDROXYLAMINE E. I. DU PONT DE NEMOURS AND COMPANY 2001-06-26 US disclosed
EP-1070044-A1 REDUCING THE COLORATION OF AROMATIC DIAMINES ALBEMARLE CORPORATION (US) 2001-01-24 EP disclosed
EP-0993444-A1 STABILIZATION OF (HYDROCARBYLTHIO)AROMATIC AMINES AGAINST ODOR FORMATION ALBEMARLE CORPORATION (US) 2000-04-19 EP disclosed
WO-1999051563-A1 REDUCING THE COLORATION OF AROMATIC DIAMINES ALBEMARLE CORPORATION (US) 1999-10-14 WO disclosed
EP-0941866-A1 Non-photosensitive, thermally imageable element having improved room light stability E. I. du Pont de Nemours and Company (US) 1999-09-15 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
US-4703073-A DISCOLORATION INHIBITION CIBA-GEIGY CORPORATION (US) 1987-10-27 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 CYP2C19 1655/4885PYCR1 2972/4885IDO1 77/4885
US-20080315155-A1 Diamines Having Reduced Color DDT, DPYD, DDC CYP2C19 2477/4885PYCR1 1667/4885IDO1 479/4885

“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.