SCHEMBL558959

SCHEMBL558959

CC(C)(C)c1ccc(-c2nnoc2-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
S1PR1 P21453 1/20 0.38
EGFR P00533 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
XDH P47989 1/20 0.37
CYP19A1 P11511 2/20 0.36
SCN5A Q14524 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL11674055 0.92 KIF11 (0.42) KIF11KMT2AKDM4EALDH1A1S1PR1
SCHEMBL186399 0.85 NR4A2 (0.42) KMT2AMEN1KDM4EALDH1A1TP53
SCHEMBL5452190 0.83 KIF11 (0.45) KIF11KMT2AMEN1
SCHEMBL1175088 0.83 NR4A2 (0.44) KMT2AMEN1KDM4EALDH1A1TP53
SCHEMBL73821 0.79 L3MBTL1 (0.36) KMT2AMEN1AKT1AKT2KDM4E
SCHEMBL28691779 0.77 KMT2A (0.50) KMT2AMEN1TP53NPC1RAB9A
SCHEMBL128222 0.75 KIF11 (0.59) KIF11ALDH1A1NPC1RAB9AXDH
SCHEMBL3421942 0.75 KIF11 (0.59) KIF11ALDH1A1NPC1RAB9AXDH
Diphenylether SCHEMBL8651099 0.73 LTA4H (0.43) KMT2AMEN1GPR55ALDH1A1
Ethane SCHEMBL27903947 0.73 KIF11 (0.57) KIF11ALDH1A1NPC1RAB9AXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9024036-B2 White-emitting monomolecular compound using excited-state intramolecular proton transfer, organic electroluminescent element and laser device using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2015-05-05 US disclosed
US-8586211-B2 Asymmetrical aryl amine derivative for organic electroluminescence devices, method for preparing same, organic thin film for organic electroluminescence devices and organic electroluminescence device using same DONGWOO FINE-CHEM CO. LTD. (KR) 2013-11-19 US disclosed
US-8512877-B2 Naphthyl carbazole derivatives, KL host material, the organic light emitting device employing the same, the display device and the illumination device employing the same DONGWOO FINE-CHEM (KR) 2013-08-20 US disclosed
US-20120032152-A1 Asymmetrical Aryl Amine Derivative for Organic Electroluminescence Devices, Method for Preparing Same, Organic Thin Film for Organic Electroluminescence Devices and Organic Electroluminescence Device Using Same DONGWOO FINE-CHEM CO. LTD. (KR) 2012-02-09 US disclosed
US-20100156283-A1 NAPHTHYL CARBAZOLE DERIVATIVES, KL HOST MATERIAL, THE ORGANIC LIGHT EMITTING DEVICE EMPLOYING THE SAME, THE DISPLAY DEVICE AND THE ILLUMINATION DEVICE EMPLOYING THE SAME DONGWOO FINE-CHEM (KR) 2010-06-24 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-20100156283-A1 NAPHTHYL CARBAZOLE DERIVATIVES, KL HOST MATERIAL, THE ORGANIC LIGHT EMITTING DEVICE EMPLOYING THE SAME, THE DISPLAY DEVICE AND THE ILLUMINATION DEVICE EMPLOYING THE SAME NCKAP1L, KLK1, KLK14 KIF11 158/4885KMT2A 879/4885MEN1 2186/4885
US-20120032152-A1 Asymmetrical Aryl Amine Derivative for Organic Electroluminescence Devices, Method for Preparing Same, Organic Thin Film for Organic Electroluminescence Devices and Organic Electroluminescence Device Using Same AOC2, ALKBH2, ALKBH1 KIF11 2193/4885KMT2A 287/4885MEN1 2994/4885

“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.