SCHEMBL1509356

SCHEMBL1509356

Nc1ccccc1C(=O)OCC(COC(=O)c1ccccc1N)(COC(=O)c1ccccc1N)COC(=O)c1ccccc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.66
HSD17B10 Q99714 9/20 0.66
TSHR P16473 6/20 0.60
RAB9A P51151 3/20 0.58
HPGD P15428 3/20 0.58
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 2/20 0.58
HIF1A Q16665 2/20 0.58
GLA P06280 2/20 0.58
CYP3A4 P08684 2/20 0.58
TP53 P04637 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KDM4E B2RXH2 5/20 0.57
MEN1 O00255 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
KMT2A Q03164 1/20 0.57
RELA Q04206 1/20 0.57

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
SCHEMBL14030807 0.91 ALDH1A1 (0.60) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL14029372 0.91 ALDH1A1 (0.60) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL14029379 0.91 ALDH1A1 (0.60) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL11778352 0.91 ALDH1A1 (0.70) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL14181299 0.91 ALDH1A1 (0.64) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL10389101 0.86 ALDH1A1 (0.67) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL3197843 0.82 ALDH1A1 (0.72) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL30094641 0.82 ALDH1A1 (0.72) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL1805376 0.82 ALDH1A1 (0.80) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL23484459 0.79 TDP1 (0.65) ALDH1A1HSD17B10TSHRRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2289962-A2 Polyurea compositions and compounds for the preparation thereof Sawyer, Kenneth I. (US) 2011-03-02 EP claimed
US-20080194859-A1 Polyurea Compositions and Compounds for the Preparation Thereof Sawyer, Kenneth I. (US) 2008-08-14 US claimed
EP-1751206-A2 POLYUREA COMPOSITIONS AND COMPOUNDS FOR THE PREPARATION THEREOF Sawyer, Kenneth I. (US) 2007-02-14 EP claimed
WO-2005113487-A2 POLYUREA COMPOSITIONS AND COMPOUNDS FOR THE PREPARATION THEREOF SAWYER KENNETH I (US) 2005-12-01 WO claimed
EP-2289962-A2 Polyurea compositions and compounds for the preparation thereof Sawyer, Kenneth I. (US) 2011-03-02 EP disclosed
US-20080264297-A1 Concentrated Dye Solution ARCHROMA IP GMBH (CH) 2008-10-30 US disclosed
US-20080264297-A1 Concentrated Dye Solution ARCHROMA IP GMBH (CH) 2008-10-30 US disclosed
US-20080194859-A1 Polyurea Compositions and Compounds for the Preparation Thereof Sawyer, Kenneth I. (US) 2008-08-14 US disclosed
US-20080194859-A1 Polyurea Compositions and Compounds for the Preparation Thereof Sawyer, Kenneth I. (US) 2008-08-14 US disclosed
US-20080194859-A1 Polyurea Compositions and Compounds for the Preparation Thereof Sawyer, Kenneth I. (US) 2008-08-14 US disclosed
US-7371831-B2 Polyazo, disazo, trisazo, triazine, hair and cationic dyes CLARIANT FINANCE (BVI) LIMITED (VG) 2008-05-13 US disclosed
US-7371831-B2 Polyazo, disazo, trisazo, triazine, hair and cationic dyes CLARIANT FINANCE (BVI) LIMITED (VG) 2008-05-13 US disclosed
US-20070251030-A1 Concentrated Dye Solution CLARIANT FINANCE (BVI) LIMITED (VG) 2007-11-01 US disclosed
US-20070251030-A1 Concentrated Dye Solution CLARIANT FINANCE (BVI) LIMITED (VG) 2007-11-01 US disclosed
EP-1751206-A2 POLYUREA COMPOSITIONS AND COMPOUNDS FOR THE PREPARATION THEREOF Sawyer, Kenneth I. (US) 2007-02-14 EP disclosed
WO-2005113487-A2 POLYUREA COMPOSITIONS AND COMPOUNDS FOR THE PREPARATION THEREOF SAWYER KENNETH I (US) 2005-12-01 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-20080194859-A1 Polyurea Compositions and Compounds for the Preparation Thereof PUF60, PCNA, PARG ALDH1A1 2747/4885HSD17B10 4631/4885TSHR 4474/4885

“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.