SCHEMBL2962223

SCHEMBL2962223

CC(C)Nc1ccccc1NC(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
IDO1 P14902 2/20 0.52
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP3A4 P08684 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
RECQL P46063 1/20 0.48
ATM Q13315 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KCNH3 Q9ULD8 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
MALT1 Q9UDY8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL17716009 0.89 TDP1 (0.48) TDP1IDO1LMNAALDH1A1L3MBTL1
SCHEMBL30461968 0.84 MAPT (0.50) TDP1IDO1LMNAALDH1A1L3MBTL1
SCHEMBL10674706 0.84 MDM4 (0.50) TDP1IDO1LMNAALDH1A1L3MBTL1
SCHEMBL4750832 0.84 MAPT (0.50) TDP1IDO1LMNAALDH1A1L3MBTL1
SCHEMBL775014 0.83 ALDH1A1 (0.63) TDP1LMNAALDH1A1L3MBTL1CYP3A4
SCHEMBL22661279 0.83 TDP1 (0.43) TDP1IDO1LMNAALDH1A1L3MBTL1
SCHEMBL29379826 0.83 ALDH1A1 (0.63) TDP1LMNAALDH1A1L3MBTL1CYP3A4
SCHEMBL104062 0.82 IDO1 (0.59) TDP1IDO1LMNAALDH1A1L3MBTL1
SCHEMBL632301 0.82 L3MBTL1 (0.49) TDP1IDO1LMNAALDH1A1L3MBTL1
SCHEMBL3228979 0.82 TDP1 (0.46) TDP1IDO1LMNAALDH1A1L3MBTL1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567481-A1 METHOD FOR INHIBITING POLYMERIZATION DURING THE RECOVERY AND PURIFICATION OF UNSATURATED MONONITRILES The Standard Oil Company (US) 2005-08-31 EP claimed
WO-2004052842-A1 METHOD FOR INHIBITING POLYMERIZATION DURING THE RECOVERY AND PURIFICATION OF UNSATURATED MONONITRILES THE STANDARD OIL COMPANY (US) 2004-06-24 WO claimed
US-8212078-B2 Making chain extenders with slower cure rates; reacting a ketone and/or aldehyde with a primary amine in the presence of an acidic ion exchange resin and hydrogenation agent; making diimine same way but excluding hydrogenation agent; e.g. N,N'-di-5-nonyl-isophoronediamine ALBEMARLE CORPORATION (US) 2012-07-03 US disclosed
WO-2010101560-A1 BIS[(ALKYLAMINO)ALKYL]AMINES ALBEMARLE CORPORATION (US) 2010-09-10 WO disclosed
US-7767858-B2 Diimines and secondary diamines ALBEMARLE CORPORATION (US) 2010-08-03 US disclosed
EP-2143707-A2 Secondary diamine Albermarle Corporation (US) 2010-01-13 EP disclosed
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
US-20080194788-A1 Diimines and Secondary Diamines ALBEMARLE CORPORATION (US) 2008-08-14 US disclosed
US-6410490-B1 OIL ADDITIVE MIXTURE CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-25 US disclosed
US-4486603-A Preparation of trans cyclohexane 1,4-diamine AKZONA INCORPORATED (US) 1984-12-04 US disclosed
US-4467114-A Preparation of trans cyclohexane 1,4-diurea AKZONA INCORPORATED (US) 1984-08-21 US disclosed
US-4457871-A Preparation of trans cyclohexane,1,4-diisocyanate and related compounds AKZONA INCORPORATED (US) 1984-07-03 US disclosed
US-4439370-A Preparation of trans cyclohexane 1,4-diisocyanate AKZONA INCORPORATED (US) 1984-03-27 US disclosed
US-4418211-A Preparation of trans-cyclohexane-1,4-disulphonyl urea AKZONA INCORPORATED (US) 1983-11-29 US disclosed
US-4275223-A Preparation of trans-cyclohexane-1,4-diurethanes AKZONA INCORPORATED (US) 1981-06-23 US disclosed
US-4203916-A Preparation of trans cyclohexane 1,4 diisocyanate AKZONA INCORPORATED (US) 1980-05-20 US disclosed
US-4140718-A Preparation of N,N'-dialkylphenylenediamines UOP INC. (US) 1979-02-20 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 (3 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 TDP1 483/4885IDO1 77/4885LMNA 155/4885
US-20080315155-A1 Diamines Having Reduced Color DDT, DPYD, DDC TDP1 486/4885IDO1 479/4885LMNA 635/4885
US-20080194788-A1 Diimines and Secondary Diamines DDT, DDC, AOC1 TDP1 1248/4885IDO1 6/4885LMNA 3427/4885

“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.