SCHEMBL13199337

SCHEMBL13199337

CCOC(=O)c1cn(P(Oc2cc(C(C)(C)C)cc3c2Oc2c(OP(n4cc(C(=O)OCC)c(C(=O)OCC)c4)n4cc(C(=O)OCC)c(C(=O)OCC)c4)cc(C(C)(C)C)cc2C3(C)C)n2cc(C(=O)OCC)c(C(=O)OCC)c2)cc1C(=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
MAOB P27338 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
BAZ2A Q9UIF9 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL14612377 0.92 MAOB (0.30) LMNAMAOB
SCHEMBL13215015 0.90
SCHEMBL13626919 0.87 LMNA (0.33) MAPK1MEN1NPC1GAAMAPT
SCHEMBL14612378 0.80 RXFP1 (0.31) NPC1GAARAB9ALMNAMAOB
SCHEMBL14520743 0.77 GABBR2 (0.33)
SCHEMBL13637419 0.71
SCHEMBL13626900 0.69
SCHEMBL13626897 0.69
SCHEMBL13626872 0.68
SCHEMBL19491159 0.68 MAPK1 (0.35) MAPK1MEN1GAAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767852-B2 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
US-7615645-B2 Method for the continuous production of aldehydes BASF AKTIENGESELLSCHAFT (DE) 2009-11-10 US disclosed
US-20080083606-A1 preparing aminodihalophosphines, diaminohalophosphines, triaminophosphines, phosphorous ester diamides, aminophosphines, diaminophosphines, phosphorous ester amide halides and aminophosphine halides with elimination of an acid in the presence of an auxiliary base BASF AKTIENGESELLSCHAFT (DE) 2008-04-10 US disclosed
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-7173138-B2 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AKTIENGESELLSCHAFT (DE) 2007-02-06 US disclosed
US-20070004939-A1 Method for the continuous production of aldehydes VOLLAND MARTIN 2007-01-04 US disclosed
US-20070004939-A1 Method for the continuous production of aldehydes VOLLAND MARTIN 2007-01-04 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-20070004939-A1 Method for the continuous production of aldehydes HRH4, HRH2, HRH3 MAPK1 3751/4885MEN1 911/4885NPC1 2155/4885
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof CYP51A1, MSMO1, HSD17B7 MAPK1 1992/4885MEN1 290/4885NPC1 2542/4885

“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.