SCHEMBL21116888

SCHEMBL21116888

c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc(-c6ccc(-c7ccc8ccccc8c7)cc6)cc5)c4ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
HDAC4 P56524 1/20 0.38
ALOX5 P09917 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36

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
SCHEMBL18505024 1.00 KDM4E (0.49) KDM4EATML3MBTL1ESR1ESR2
SCHEMBL22049451 0.97 KDM4E (0.44) KDM4EATML3MBTL1ESR1ESR2
SCHEMBL22049457 0.97 KDM4E (0.44) KDM4EATML3MBTL1ESR1ESR2
SCHEMBL21117088 0.97 KDM4E (0.44) KDM4EATML3MBTL1ESR1ESR2
SCHEMBL22049942 0.97 ESR1 (0.43) KDM4EATML3MBTL1ESR1ESR2
SCHEMBL24609361 0.96 L3MBTL1 (0.45) KDM4EATML3MBTL1ESR1ESR2
SCHEMBL21129078 0.96 L3MBTL1 (0.45) KDM4EATML3MBTL1ESR1ESR2
SCHEMBL21117085 0.95 L3MBTL1 (0.50) KDM4EATML3MBTL1ESR1ESR2
SCHEMBL21157325 0.95 L3MBTL1 (0.44) KDM4EATML3MBTL1ESR1ESR2
SCHEMBL24356571 0.95 L3MBTL1 (0.44) KDM4EATML3MBTL1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210111350-A1 PHOSPHORESCENT HOST COMPOSITION, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2021-04-15 US disclosed
US-20200176688-A1 ORGANIC OPTOELECTRONIC DIODE AND DISPLAY DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-06-04 US disclosed
US-20200161564-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-05-21 US disclosed
US-20190198780-A1 ORGANIC COMPOUND AND COMPOSITION AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-06-27 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-20200176688-A1 ORGANIC OPTOELECTRONIC DIODE AND DISPLAY DEVICE OR10J3, AOX1, OCIAD1 KDM4E 3588/4885ATM 3323/4885L3MBTL1 3595/4885
US-20200161564-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OXER1, OR10J3, OCIAD1 KDM4E 4066/4885ATM 3422/4885L3MBTL1 2156/4885
US-20210111350-A1 PHOSPHORESCENT HOST COMPOSITION, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE ORC3, CRY1, OSTC KDM4E 4468/4885ATM 4137/4885L3MBTL1 4140/4885
US-20190198780-A1 ORGANIC COMPOUND AND COMPOSITION AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OR10J3, OXER1, OR51E2 KDM4E 4194/4885ATM 3358/4885L3MBTL1 3450/4885

“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.