SCHEMBL17854259

SCHEMBL17854259

c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)cc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDK2 Q15119 1/20 0.30
HDAC4 P56524 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
SCHEMBL17854258 1.00 KDM4E (0.32) KDM4EATML3MBTL1PDK2HDAC4
SCHEMBL17854111 0.96 KDM4E (0.32) KDM4EATML3MBTL1HDAC4
SCHEMBL17854172 0.95 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL18469240 0.94 HDAC4 (0.30) HDAC4
SCHEMBL20346027 0.94 HDAC4 (0.30) HDAC4
SCHEMBL17854260 0.94 PDK2 (0.31) KDM4EATML3MBTL1PDK2
SCHEMBL19001694 0.94 KDM4E (0.33) KDM4EATML3MBTL1PDK2HDAC4
SCHEMBL17805126 0.94 KDM4E (0.35) KDM4EATML3MBTL1HDAC4
SCHEMBL17855381 0.94 KDM4E (0.36) KDM4EATML3MBTL1HDAC4
SCHEMBL17855290 0.94 KDM4E (0.36) KDM4EATML3MBTL1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10944057-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2021-03-09 US disclosed
US-20160176801-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160176801-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 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-10944057-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic equipment OR10J3, KCNA5, KCNK10 KDM4E 783/4885ATM 1185/4885L3MBTL1 24/4885
US-20160176801-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT OR10J3, KCNA5, KCNK10 KDM4E 783/4885ATM 1185/4885L3MBTL1 24/4885

“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.