SCHEMBL2748818

SCHEMBL2748818

CC(O)(CCO)CCOC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 4/20 0.54
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.45
SLC6A3 Q01959 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTR1A P08908 1/20 0.44
CYP2D6 P10635 1/20 0.44
SCN1A P35498 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2748153 0.86 LMNA (0.54) LMNATDP1MAPK1HIF1AALDH1A1
SCHEMBL23539428 0.86 MAPK1 (0.59) LMNATDP1MAPK1HIF1AALDH1A1
SCHEMBL23539430 0.86 MAPK1 (0.59) LMNATDP1MAPK1HIF1AALDH1A1
SCHEMBL27678788 0.86 LMNA (0.57) LMNATDP1MAPK1HIF1AALDH1A1
SCHEMBL30829597 0.86 LMNA (0.62) LMNATDP1MAPK1HIF1AALDH1A1
SCHEMBL3400673 0.83 LMNA (0.62) LMNATDP1MAPK1HIF1AALDH1A1
SCHEMBL27678799 0.83 LMNA (0.54) LMNATDP1MAPK1HIF1AALDH1A1
SCHEMBL6934530 0.82 LMNA (0.65) LMNATDP1MAPK1HIF1AALDH1A1
SCHEMBL1164342 0.81 LMNA (0.59) LMNATDP1MAPK1HIF1AALDH1A1
SCHEMBL25339994 0.80 LMNA (0.62) LMNATDP1MAPK1HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1752457-B1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-03-19 EP disclosed
US-8178543-B2 growth factor receptor tyrosine kinase inhibitor; anticarcinogenic agents; N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
WO-2010036917-A1 PREVENTION AND TREATMENT OF CANCER WITH RAS GENE MUTATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-01 WO disclosed
WO-2010036910-A1 HEART PROTECTION BY ADMINISTERING AN AMP-ACTIVATED PROTEIN KINASE ACTIVATOR OHTA YOSHIKAZU (JP) 2010-04-01 WO disclosed
WO-2010036928-A1 PREVENTION AND TREATMENT OF CANCER WITH LKB1 NON-EXPRESSION (DELETION OR MUTATION) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-01 WO disclosed
US-20090203717-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-13 US disclosed
US-7507740-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 US disclosed
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-15 US disclosed
US-20070244132-A1 Fused Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-18 US disclosed
EP-1752457-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-02-14 EP 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 (4 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-20090203717-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 LMNA 2833/4885TDP1 3816/4885MAPK1 137/4885
US-20070244132-A1 Fused Heterocyclic Compound NOX3, ERBB3, CBR3 LMNA 2833/4885TDP1 3816/4885MAPK1 137/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 LMNA 2833/4885TDP1 3816/4885MAPK1 137/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 LMNA 2833/4885TDP1 3816/4885MAPK1 137/4885

“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.