SCHEMBL17248306

SCHEMBL17248306

CCCCc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(CCCC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RORA P35398 3/20 0.41
RORC P51449 3/20 0.41
RORB Q92753 3/20 0.41
KAT2B Q92831 2/20 0.40
HSD11B1 P28845 1/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CNR2 P34972 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
SLC2A1 P11166 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
PGR P06401 3/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL552038 0.94 RORA (0.48) KDM4EATML3MBTL1RORARORC
SCHEMBL18858863 0.94 RORA (0.48) KDM4EATML3MBTL1RORARORC
SCHEMBL14107128 0.94 RORA (0.48) KDM4EATML3MBTL1RORARORC
SCHEMBL24714320 0.93 KDM4E (0.44) KDM4EATML3MBTL1RORARORC
SCHEMBL15451486 0.93 KDM4E (0.44) KDM4EATML3MBTL1RORARORC
SCHEMBL17228089 0.90 HSD11B1 (0.43) KDM4EATML3MBTL1RORARORC
SCHEMBL15385939 0.90 RORA (0.47) KDM4EATML3MBTL1RORARORC
SCHEMBL15165490 0.88 MGLL (0.50) KDM4EATML3MBTL1RORARORC
SCHEMBL27050238 0.88 HSD11B1 (0.42) KDM4EATML3MBTL1RORARORC
SCHEMBL13932547 0.87 RORA (0.47) KDM4EATML3MBTL1RORARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10361378-B2 Organic electroluminescent device NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2019-07-23 US disclosed
US-20170137566-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-18 US disclosed
US-20170137566-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-18 US disclosed
EP-3165550-A1 POLYMERIC COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME Sumitomo Chemical Company Limited (JP) 2017-05-10 EP disclosed
EP-2933851-B1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL & SUMIKIN CHEM CO (JP) 2017-05-10 EP disclosed
US-20150325796-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-11-12 US disclosed
US-20150325796-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-11-12 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-10361378-B2 Organic electroluminescent device ELF3, DDT, LEF1 KDM4E 1228/4885ATM 3768/4885L3MBTL1 74/4885
US-20170137566-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME ARL1, NMRAL1, RB1 KDM4E 1991/4885ATM 2105/4885L3MBTL1 1081/4885

“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.