SCHEMBL6994848

SCHEMBL6994848

CCC(O)CN(CC(=O)O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PPARG P37231 1/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL16633519 0.87 POLB (0.56) POLBALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL8284315 0.87 POLB (0.56) POLBALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL12126902 0.87 POLB (0.56) POLBALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL29338696 0.85 POLB (0.48) POLBALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL6793937 0.84 POLB (0.52) POLBALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL6800845 0.84 POLB (0.52) POLBALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL6793942 0.84 POLB (0.52) POLBALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL7088913 0.83 POLB (0.66) POLBLMNANPC1L3MBTL1KDM4E
SCHEMBL27415006 0.83 POLB (0.54) POLBALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL9838201 0.82 PPARG (0.41) POLBALDH1A1PPARGLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653305-B2 For therapy of tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-11-25 US disclosed
EP-1315717-A1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2003-06-04 EP disclosed
US-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-20 US disclosed
WO-2002018373-A1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 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-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR3C2, CYP11B2 POLB 1054/4885ALDH1A1 2095/4885CYP1A2 234/4885

“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.