SCHEMBL4574389

SCHEMBL4574389

CCOC(=O)c1cc(-c2ccc(OC)cc2OC)n(N)c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
KMT2A Q03164 3/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
ATM Q13315 1/20 0.41
CHRNA7 P36544 1/20 0.40
MAOB P27338 2/20 0.40
MEN1 O00255 2/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 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
SCHEMBL7074503 0.85 POLB (0.45) HSD17B10MAPTTP53KMT2AALDH1A1
SCHEMBL5922311 0.76 CHRNA7 (0.61) LMNAMAPK1MAPTTP53KMT2A
SCHEMBL5922387 0.74 THRB (0.58) LMNAMAPK1MAPTTP53KMT2A
SCHEMBL7488349 0.73 KMT2A (0.67) LMNATP53KMT2AUSP2HTT
SCHEMBL5922363 0.72 MAPK1 (0.60) LMNAMAPK1MAPTTP53KMT2A
SCHEMBL4573897 0.72 TSHR (0.42) LMNAHSD17B10MAPK1MAPTKMT2A
SCHEMBL15614376 0.72 ALDH1A1 (0.53) LMNAMAPTTP53HTTALDH1A1
SCHEMBL29191709 0.70 MEN1 (0.62) LMNAHSD17B10MAPK1NPSR1MAPT
SCHEMBL1546951 0.69 KMT2A (0.57) LMNAMAPTKMT2AUSP2HTT
SCHEMBL23635829 0.67 ALDH1A1 (0.51) LMNAHSD17B10MAPK1NPSR1MAPT

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-7319084-B2 Catalysts containing N-pyrrolyl substituted nitrogen donors E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-15 US disclosed
US-20060178490-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors E. I. DU PONT DE NEMOURS AND COMPANY 2006-08-10 US disclosed
US-20050054856-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors EASTMAN CHEMICAL COMPANY (US) 2005-03-10 US disclosed
US-6825356-B2 REMAINING DONOR ATOMS OF THE LIGAND ARE SELECTED FROM THE GROUP CONSISTING OF C, N, P, AS, O, S, AND SE EASTMAN CHEMICAL COMPANY 2004-11-30 US disclosed
US-20030225228-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors EASTMAN CHEMICAL COMPANY 2003-12-04 US disclosed
US-20030195110-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors E. I. DU PONT DE NEMOURS AND COMPANY 2003-10-16 US disclosed
US-6559091-B1 Metal complex ligated by a monodentate, bidentate, tridentate, or tetradentate ligand, wherein at least one of the donor atoms of the ligand is a nitrogen atom substituted by a 1-pyrrolyl or substituted 1- pyrrolyl group EASTMAN CHEMICAL COMPANY 2003-05-06 US disclosed
US-6545108-B1 Ti, Zr, Hf, Cr, Mo, W, V, Nb, or Ta complex of a monodentate dianionic ligand in which a nitrogen atom is substituted by a 1-pyrrolyl and the remaining donor atoms are N, P, As, O, S, or Se EASTMAN CHEMICAL COMPANY 2003-04-08 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-20060178490-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors NCL, NSFL1C, NCLN LMNA 3523/4885HSD17B10 2880/4885MAPK1 4161/4885
US-20050054856-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors NCL, NSFL1C, NCLN LMNA 3523/4885HSD17B10 2880/4885MAPK1 4161/4885

“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.