SCHEMBL2542906

SCHEMBL2542906

CCCCc1ccc(Nc2ccc(Nc3ccc(CCCC)cc3)c(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 2/20 0.44
POLB P06746 2/20 0.44
SKP2 Q13309 1/20 0.44
TP53 P04637 3/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
UNG P13051 3/20 0.42
NPC1 O15118 2/20 0.41

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
SCHEMBL16542333 0.95 HPGD (0.43) HPGDMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL3919619 0.87 HPGD (0.48) HPGDMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL9618028 0.84 GAA (0.60) HPGDMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL11062435 0.83 HPGD (0.43) HPGDMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL1031879 0.83 GAA (0.50) HPGDMAPTMEN1GAAKMT2A
SCHEMBL48879 0.82 HPGD (0.58) HPGDMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL14127779 0.82 HPGD (0.58) HPGDMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL1031878 0.82 KMT2A (0.49) HPGDMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL1422741 0.81 HPGD (0.54) HPGDMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL9274463 0.80 HPGD (0.50) HPGDMAPTSMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694744-B1 OLIGOMERS AND POLYMERS MERCK PATENT GMBH (DE) 2015-03-04 EP disclosed
US-8043722-B2 Arylene or heteroarylene groups separated by a nitrogen or phosphorus atom; optical device, electroluminescent device, switching device, field effect transistor insulator, integrated circuit MERCK PATENT GMBH (DE) 2011-10-25 US disclosed
US-8043722-B2 Arylene or heteroarylene groups separated by a nitrogen or phosphorus atom; optical device, electroluminescent device, switching device, field effect transistor insulator, integrated circuit MERCK PATENT GMBH (DE) 2011-10-25 US disclosed
US-8043722-B2 Arylene or heteroarylene groups separated by a nitrogen or phosphorus atom; optical device, electroluminescent device, switching device, field effect transistor insulator, integrated circuit MERCK PATENT GMBH (DE) 2011-10-25 US disclosed
US-20080217605-A1 Oligomers and Polymers MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
US-20080217605-A1 Oligomers and Polymers MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
US-20080217605-A1 Oligomers and Polymers MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
EP-1694744-A1 OLIGOMERS AND POLYMERS MERCK PATENT GmbH (DE) 2006-08-30 EP disclosed
WO-2005056638-A1 OLIGOMERS AND POLYMERS MERCK PATENT GMBH (DE) 2005-06-23 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-20080217605-A1 Oligomers and Polymers AR, ARPC3, NMRAL1 HPGD 4431/4885MAPT 344/4885SMN1; SMN2 815/4885

“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.