SCHEMBL16999535

SCHEMBL16999535

c1ccc(-n2c3ccc4c5ccccc5n(-c5ccccc5)c4c3c3cc4c5c(cccc5c32)-c2ccccc2-4)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 6/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
HIF1A Q16665 1/20 0.36
DUSP3 P51452 1/20 0.35
HKDC1 Q2TB90 1/20 0.33
KMT2A Q03164 5/20 0.33
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
USP2 O75604 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDR P35968 1/20 0.32

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
SCHEMBL16999434 0.94 L3MBTL1 (0.44) KDM4EL3MBTL1ATMALDH1A1TSHR
SCHEMBL16999435 0.89 KDM4E (0.46) KDM4EL3MBTL1ATMALDH1A1TSHR
SCHEMBL16999526 0.89 KDM4E (0.46) KDM4EL3MBTL1ATMALDH1A1TSHR
SCHEMBL16999374 0.89 KDM4E (0.52) KDM4EL3MBTL1ATMALDH1A1TSHR
SCHEMBL16999544 0.86 L3MBTL1 (0.39) KDM4EL3MBTL1ATMALDH1A1TSHR
SCHEMBL21755569 0.85 KDM4E (0.51) KDM4EL3MBTL1ATMALDH1A1DUSP3
SCHEMBL16999431 0.84 KDM4E (0.44) KDM4EL3MBTL1ATMALDH1A1TSHR
SCHEMBL16999392 0.84 KDM4E (0.47) KDM4EL3MBTL1ATMALDH1A1TSHR
SCHEMBL16999577 0.84 KDM4E (0.47) KDM4EL3MBTL1ATMALDH1A1TSHR
SCHEMBL16999426 0.84 KDM4E (0.47) KDM4EL3MBTL1ATMALDH1A1TSHR

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-9741943-B2 Condensed fluoranthene compound, material for organic electroluminescent element using this compound, organic electroluminescent element using this material, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2017-08-22 US disclosed
US-9741943-B2 Condensed fluoranthene compound, material for organic electroluminescent element using this compound, organic electroluminescent element using this material, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2017-08-22 US disclosed
US-20160322587-A1 CONDENSED FLUORANTHENE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT USING THIS COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT USING THIS MATERIAL, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-11-03 US disclosed
US-9419226-B2 Condensed fluoranthene compound, material for organic electroluminescent element using this compound, organic electroluminescent element using this material, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2016-08-16 US disclosed
US-9419226-B2 Condensed fluoranthene compound, material for organic electroluminescent element using this compound, organic electroluminescent element using this material, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2016-08-16 US disclosed
US-20150228904-A1 CONDENSED FLUORANTHENE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT USING THIS COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT USING THIS MATERIAL, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2015-08-13 US disclosed
US-20150228904-A1 CONDENSED FLUORANTHENE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT USING THIS COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT USING THIS MATERIAL, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2015-08-13 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-20160322587-A1 CONDENSED FLUORANTHENE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT USING THIS COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT USING THIS MATERIAL, AND ELECTRONIC DEVICE AFF2, AFF4, AFF1 KDM4E 2933/4885L3MBTL1 2821/4885ATM 2830/4885

“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.