SCHEMBL17714890

SCHEMBL17714890

CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c7ccccc7n(-c7ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc7)c6c5)c4)n3)cc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PDK2 Q15119 4/20 0.33
▸ AVPR1A P37288 1/20 0.33
▸ HDAC4 P56524 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL19061520 0.98 KDM4E (0.34) KDM4EATML3MBTL1PDK2AVPR1A
SCHEMBL17714891 0.97 PTGER4 (0.34) KDM4EATML3MBTL1PDK2AVPR1A
SCHEMBL19061509 0.97 KDM4E (0.35) KDM4EATML3MBTL1PDK2HDAC4
SCHEMBL17714885 0.96 KDM4E (0.35) KDM4EATML3MBTL1PDK2AVPR1A
SCHEMBL19061500 0.96 PDE10A (0.33) KDM4EATML3MBTL1PDK2AVPR1A
SCHEMBL19061651 0.96 KDM4E (0.35) KDM4EATML3MBTL1PDK2AVPR1A
SCHEMBL19061316 0.96 KDM4E (0.35) KDM4EATML3MBTL1PDK2AVPR1A
SCHEMBL24273004 0.95 RXRA (0.32) KDM4EATML3MBTL1PDK2HDAC4
SCHEMBL22386969 0.95 RXRA (0.32) KDM4EATML3MBTL1PDK2HDAC4
SCHEMBL22386993 0.95 RXRA (0.32) KDM4EATML3MBTL1PDK2HDAC4

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-11111231-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-09-07 — — US disclosed
EP-3015465-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2019-09-04 — — EP disclosed
US-20190127352-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-02 — — US disclosed
US-10253016-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2019-04-09 — — US disclosed
US-20160204359-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2016-07-14 — — US disclosed
US-20160204359-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2016-07-14 — — US disclosed
EP-3015465-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2016-05-04 — — EP 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-10253016-B2 Heterocyclic compound and organic light-emitting device comprising same CRY1, CRY2, NR2E3 KDM4E 1531/4885ATM 2327/4885L3MBTL1 699/4885
US-20160204359-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CRY2, NR2E3 KDM4E 1531/4885ATM 2327/4885L3MBTL1 699/4885
US-11111231-B2 Heterocyclic compound and organic light-emitting device comprising same CRY1, CRY2, NR2E3 KDM4E 1531/4885ATM 2327/4885L3MBTL1 699/4885
US-20190127352-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CRY2, NR2E3 KDM4E 1531/4885ATM 2327/4885L3MBTL1 699/4885

“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.

Send feedback