SCHEMBL8736978

SCHEMBL8736978

CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)n3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PTGER4 P35408 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ PDK2 Q15119 7/20 0.32
▸ TSPO P30536 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ HPGD P15428 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ RAC2 P15153 1/20 0.30
▸ RAC3 P60763 1/20 0.30
▸ CDC42 P60953 1/20 0.30
▸ RAC1 P63000 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL8735741 0.99 KDM4E (0.36) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL8735326 0.97 KDM4E (0.36) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL19061216 0.97 PTGER4 (0.34) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL8736980 0.97 KDM4E (0.38) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL19061210 0.97 KDM4E (0.35) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL23317996 0.96 KDM4E (0.35) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL19061231 0.96 PTGER4 (0.33) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL19061226 0.96 PTGER4 (0.34) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL15248530 0.96 PTGER4 (0.34) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL17714921 0.95 PTGER4 (0.34) KDM4EATML3MBTL1PTGER4RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210217966-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-07-15 — — US disclosed
US-10991892-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-04-27 — — US disclosed
US-9266851-B2 Fluorene-containing aromatic compound, material for organic electroluminescent element, and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2016-02-23 — — US disclosed
US-9266851-B2 Fluorene-containing aromatic compound, material for organic electroluminescent element, and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2016-02-23 — — US disclosed
US-20150214489-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-07-30 — — US disclosed
US-20150214489-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-07-30 — — US disclosed
US-20120126217-A1 FLUORENE-CONTAINING AROMATIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO. LTD. (JP) 2012-05-24 — — US disclosed
US-20120126217-A1 FLUORENE-CONTAINING AROMATIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO. LTD. (JP) 2012-05-24 — — 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 (4 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-20150214489-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MT-CO3, MT-ND3, MT-ND5 KDM4E 2392/4885ATM 2816/4885L3MBTL1 2040/4885
US-20210217966-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MT-CO3, MT-ND3, MT-ND5 KDM4E 2392/4885ATM 2816/4885L3MBTL1 2040/4885
US-20120126217-A1 FLUORENE-CONTAINING AROMATIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME NR0B2, AFF2, AFF1 KDM4E 2744/4885ATM 4148/4885L3MBTL1 3195/4885
US-10991892-B2 Materials for organic electroluminescent devices MT-CO3, MT-ND3, MT-ND5 KDM4E 2392/4885ATM 2816/4885L3MBTL1 2040/4885

“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.

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