SCHEMBL841689

SCHEMBL841689

CC(Nc1ccccc1)C(C)Nc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.70
ALDH1A1 P00352 5/20 0.58
TSHR P16473 4/20 0.58
HSD17B10 Q99714 4/20 0.58
ALOX15 P16050 3/20 0.58
ALOX12 P18054 3/20 0.58
CYP3A4 P08684 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
LMNA P02545 2/20 0.58
THRB P10828 1/20 0.58
RECQL P46063 1/20 0.58
ATM Q13315 1/20 0.58
GAA P10253 2/20 0.50
MAPK1 P28482 2/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 1/20 0.45
CTSD P07339 1/20 0.45
KCNH3 Q9ULD8 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 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
SCHEMBL19018345 0.90 ALDH1A1 (0.75) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL22502960 0.89 TDP1 (0.64) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL2255556 0.89 TDP1 (0.64) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL27912296 0.85 TDP1 (0.58) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL17104285 0.85 TDP1 (0.58) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL23676916 0.85 TDP1 (0.58) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL28172850 0.85 TDP1 (0.58) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL14515472 0.85 TDP1 (0.58) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL20449071 0.85 TDP1 (0.58) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL42138 0.83 TDP1 (0.64) TDP1ALDH1A1TSHRHSD17B10ALOX15

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
US-8492007-B2 Metal complex and organic electroluminescent device SUMITOMO CHEMICAL COMPANY (JP) 2013-07-23 US disclosed
US-8142908-B2 Polymer light-emitting material comprising a conjugated polymer and compound exhibiting light emission from the triplet excited state and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-27 US disclosed
US-20110227050-A1 METAL COMPLEX AND ORGANIC ELETROLUMINESCENT DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-22 US disclosed
US-8003226-B2 carbazole phenylpyridine metal complexes or conjugated with additional polymers, for use in a light-emitting device; light emission from triplet excited state SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-7910617-B2 Method for suppressing the number of peripheral blood lymphocytes using an amino alcohol compound SANKYO COMPANY, LIMITED (JP) 2011-03-22 US disclosed
US-20080248220-A1 Light-Emitting Material and Light-Emitting Device Using the Same SUMITOMO CHEMICAL COMPANY,LIMITED 2008-10-09 US disclosed
US-20070191468-A1 Amino alcohol compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-08-16 US disclosed
US-20070103059-A1 Composition and polymer light-emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-10 US disclosed
US-20070051922-A1 Polymer light-emitting material and polymer light-emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-08 US disclosed
EP-1733724-A1 AMINO ALCOHOL COMPOUND Sankyo Company, Limited (JP) 2006-12-20 EP disclosed
US-20050147843-A1 carbazole phenylpyridine metal complexes or conjugated with additional polymers, for use in a light-emitting device; light emission from triplet excited state SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-07 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 (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-20070191468-A1 Amino alcohol compound ADH1A, ADH1C, BCAT1 TDP1 1914/4885ALDH1A1 62/4885TSHR 1558/4885

“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.