SCHEMBL21213836

SCHEMBL21213836

c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6cc7ccccc7cc6c6c7ccccc7ccc65)nc5ncccc45)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTGES O14684 1/20 0.32
▸ DHODH Q02127 1/20 0.30
▸ PTGER4 P35408 1/20 0.30
▸ TUBB4A P04350 1/20 0.30
▸ TUBB P07437 1/20 0.30
▸ TUBA3C P0DPH7 1/20 0.30
▸ TUBA1B P68363 1/20 0.30
▸ TUBA4A P68366 1/20 0.30
▸ TUBB4B P68371 1/20 0.30
▸ TUBB3 Q13509 1/20 0.30
▸ TUBB2A Q13885 1/20 0.30
▸ TUBB8 Q3ZCM7 1/20 0.30
▸ TUBA3E Q6PEY2 1/20 0.30
▸ TUBA1A Q71U36 1/20 0.30
▸ TUBA1C Q9BQE3 1/20 0.30
▸ TUBB6 Q9BUF5 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
SCHEMBL21213033 0.93 NPY5R (0.40) NPY5RKDM4EATML3MBTL1DHODH
SCHEMBL21924321 0.89 NPY5R (0.37) NPY5RKDM4EATML3MBTL1DHODH
SCHEMBL21212941 0.88 HTR2B (0.37) NPY5RDHODHTUBB4ATUBBTUBA3C
SCHEMBL21213252 0.88 L3MBTL1 (0.37) NPY5RKDM4EATML3MBTL1PTGES
SCHEMBL21213389 0.88 L3MBTL1 (0.37) NPY5RKDM4EATML3MBTL1PTGES
SCHEMBL21213588 0.86 NPY5R (0.33) NPY5RKDM4EATML3MBTL1
SCHEMBL19979460 0.85 NPY5R (0.33) NPY5RKDM4EATML3MBTL1TUBB4A
SCHEMBL21213243 0.85 ALDH1A1 (0.36) KDM4EATML3MBTL1PTGESPTGER4
SCHEMBL21213330 0.85 HTR2B (0.39) NPY5RDHODHTUBB4ATUBBTUBA3C
SCHEMBL24030333 0.85 PTGES (0.35) NPY5RKDM4EATML3MBTL1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11581496-B2 Benzocarbazole-based compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2023-02-14 — — US disclosed
US-20190237680-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-08-01 — — 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-20190237680-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1B1, CYP2C9, CYP3A4 NPY5R 3563/4885KDM4E 879/4885ATM 4058/4885
US-11581496-B2 Benzocarbazole-based compound and organic light-emitting device comprising same CYP1B1, CYP2C9, CYP3A4 NPY5R 3563/4885KDM4E 879/4885ATM 4058/4885

“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