SCHEMBL5846672

SCHEMBL5846672

CCOC(=O)c1cc(Nc2ccc(OC)cc2OC)c(C(=O)OCC)cc1Nc1ccc(OC)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 3/20 0.54
CDC25B P30305 2/20 0.53
LMNA P02545 1/20 0.53
KDM4E B2RXH2 3/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 3/20 0.52
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
MEN1 O00255 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL8833711 0.90 TP53 (0.55) TP53MAPTALDH1A1CDC25BLMNA
SCHEMBL30294496 0.86 MAPT (0.49) TP53MAPTALDH1A1CDC25BLMNA
SCHEMBL22853044 0.86 MAPT (0.49) TP53MAPTALDH1A1CDC25BLMNA
SCHEMBL8834135 0.84 AKR1C3 (0.55) TP53MAPTALDH1A1CDC25BLMNA
SCHEMBL1963479 0.83 CDC25B (0.54) TP53MAPTALDH1A1CDC25BLMNA
SCHEMBL8833701 0.81 GAA (0.62) MAPTALDH1A1LMNAKDM4EGLA
SCHEMBL7488349 0.81 KMT2A (0.67) TP53ALDH1A1LMNAKDM4EGLA
SCHEMBL5846679 0.79 AKR1C3 (0.52) MAPTALDH1A1LMNAKDM4EGLA
SCHEMBL8834053 0.79 AKR1C3 (0.63) MAPTALDH1A1LMNAKDM4EGLA
SCHEMBL29191709 0.78 MEN1 (0.62) TP53MAPTALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141312-B2 Organic electroluminescent device based on 2,5-diaminoterephthalic acid derivatives SENSIENT IMAGING TECHNOLOGIES GMBH (DE) 2006-11-28 US disclosed
US-7112674-B2 Organic electroluminescent device based on 2,5-diaminoterephthalic acid derivatives SENSIENT IMAGING TECHNOLOGIES GMBH (DE) 2006-09-26 US disclosed
EP-1421634-B1 ORGANIC ELECTROLUMINESCENT DEVICE BASED ON 2,5-DIAMINOTEREPHTHALIC ACID DERIVATIVES SENSIENT IMAGING TECHNOLOGIES (DE) 2005-11-16 EP disclosed
US-20050025992-A1 Organic electroluminescent device based on 2,5-diaminoterephthalic acid derivatives RICHTER ANDREAS (DE) 2005-02-03 US disclosed
US-20050003230-A1 Organic electroluminescent device and based on 2,5-diaminoterephthalic acid derivatives SENSIENT IMAGING TECHNOLOGIES GMBH (DE) 2005-01-06 US disclosed
EP-1421634-A2 ORGANIC ELECTROLUMINESCENT DEVICE BASED ON 2,5-DIAMINOTEREPHTHALIC ACID DERIVATIVES Sensient Imaging Technologies GmbH (DE) 2004-05-26 EP disclosed
WO-2003019697-A2 ORGANIC ELECTROLUMINESCENT DEVICE BASED ON 2,5-DIAMINOTEREPHTHALIC ACID DERIVATIVES SENSIENT IMAGING TECHNOLOGIES GMBH (DE) 2003-03-06 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-20050003230-A1 Organic electroluminescent device and based on 2,5-diaminoterephthalic acid derivatives NPY4R, NPY5R, NPY1R TP53 4631/4885MAPT 4263/4885ALDH1A1 771/4885

“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.