SCHEMBL4599298

SCHEMBL4599298

c1ccc(Nc2ccc3c(ccc4cc(Nc5ccccc5)ccc43)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
HSD17B10 Q99714 4/20 0.72
CYP3A4 P08684 4/20 0.72
HPGD P15428 2/20 0.72
L3MBTL1 Q9Y468 4/20 0.59
TSHR P16473 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
ALOX12 P18054 3/20 0.59
ALOX15 P16050 2/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
MAPK1 P28482 1/20 0.59
PTGS2 P35354 1/20 0.59
HTR2B P41595 1/20 0.59
MAPT P10636 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
AR P10275 1/20 0.58
SNCA P37840 1/20 0.55
NSD2 O96028 1/20 0.54

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
SCHEMBL16657696 0.94 ALDH1A1 (0.70) ALDH1A1HSD17B10CYP3A4HPGDL3MBTL1
SCHEMBL18201522 0.89 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP3A4HPGDL3MBTL1
SCHEMBL11961726 0.88 ALDH1A1 (0.91) ALDH1A1HSD17B10CYP3A4HPGDL3MBTL1
SCHEMBL19533724 0.86 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL17701124 0.85 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP3A4HPGDL3MBTL1
SCHEMBL19738513 0.84 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP3A4HPGDL3MBTL1
SCHEMBL11466814 0.84 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP3A4HPGDL3MBTL1
Diphenylamine SCHEMBL28300967 0.84 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP3A4HPGDL3MBTL1
SCHEMBL29354421 0.84 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP3A4HPGDL3MBTL1
SCHEMBL38433 0.84 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP3A4HPGDL3MBTL1

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-20200216605-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-07-09 US disclosed
EP-2272894-B1 POLYMER COMPOUND, RETICULATED POLYMER COMPOUND PRODUCED BY CROSSLINKING THE POLYMER COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEM CORP (JP) 2016-07-06 EP disclosed
US-20140299864-A1 POLYMERS CONTAINING THERMALLY DISSOCIABLE AND SOLUBLE GROUPS AND THE USE OF SUCH POLYMERS AS ORGANIC ELECTROLUMINESCENT MATERIALS MITSUBISHI CHEMICAL CORPORATION (JP) 2014-10-09 US disclosed
US-8795849-B2 Polymers containing thermally dissociable and soluble groups and the use of such polymers as organic electroluminescent materials MITSUBISHI CHEMICAL CORPORATION (JP) 2014-08-05 US disclosed
US-8581241-B2 Polymer compound, net-like polymer compound produced by crosslinking the polymer compound, composition for organic electroluminescence element, organic electroluminescence element, organic EL display, and organic EL lighting MITSUBISHI CHEMICAL CORPORATION (JP) 2013-11-12 US disclosed
US-20130020562-A1 POLYMER COMPOUND, NET-LIKE POLYMER COMPOUND PRODUCED BY CROSSLINKING THE POLYMER COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION 2013-01-24 US disclosed
US-20120193617-A1 LOW-MOLECULAR COMPOUND, POLYMER, ELECTRONIC-DEVICE MATERIAL, COMPOSITION FOR ELECTRONIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC SOLAR CELL ELEMENT, DISPLAY AND LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-02 US disclosed
US-20080233434-A1 AROMATIC AMINE DERIVATIVES AND ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-09-25 US disclosed
US-7405326-B2 Aromatic amine derivatives and electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2008-07-29 US disclosed
EP-1914222-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-04-23 EP disclosed
US-20070029927-A1 AROMATIC AMINE DERIVATIVES AND ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-02-08 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-20120193617-A1 LOW-MOLECULAR COMPOUND, POLYMER, ELECTRONIC-DEVICE MATERIAL, COMPOSITION FOR ELECTRONIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC SOLAR CELL ELEMENT, DISPLAY AND LIGHTING EPCAM, CDH1, THEM6 ALDH1A1 2277/4885HSD17B10 4144/4885CYP3A4 2651/4885
US-20070029927-A1 AROMATIC AMINE DERIVATIVES AND ELECTROLUMINESCENCE DEVICE USING THE SAME TYR, MAOA, MAOB ALDH1A1 212/4885HSD17B10 3023/4885CYP3A4 722/4885

“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.