SCHEMBL21213033

SCHEMBL21213033

c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc5ncccc45)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 5/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ DHODH Q02127 2/20 0.34
▸ PTGER4 P35408 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ LOXL3 P58215 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ GABRP O00591 1/20 0.30
▸ GABRD O14764 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRB1 P18505 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA5 P31644 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
SCHEMBL21924321 0.95 NPY5R (0.37) NPY5RKDM4EATML3MBTL1DHODH
SCHEMBL21213836 0.93 NPY5R (0.36) NPY5RKDM4EATML3MBTL1DHODH
SCHEMBL21213083 0.89 DHODH (0.44) NPY5RKDM4EL3MBTL1DHODHALDH1A1
SCHEMBL21213330 0.89 HTR2B (0.39) NPY5RDHODHBACE1GABRPGABRD
SCHEMBL21213014 0.89 DHODH (0.40) NPY5RKDM4EL3MBTL1DHODHALDH1A1
SCHEMBL21213356 0.88 KDM4E (0.38) NPY5RKDM4EATML3MBTL1PTGER4
SCHEMBL19979460 0.86 NPY5R (0.33) NPY5RKDM4EATML3MBTL1HTR2B
SCHEMBL21212873 0.85 L3MBTL1 (0.43) NPY5RKDM4EATML3MBTL1PTGER4
SCHEMBL21213054 0.85 L3MBTL1 (0.43) NPY5RKDM4EATML3MBTL1PTGER4
SCHEMBL21212874 0.85 PIK3CA (0.37) NPY5RKDM4EATML3MBTL1PTGER4

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