SCHEMBL22913615

SCHEMBL22913615

Brc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.47
▸ CYP1A1 P04798 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP1B1 Q16678 2/20 0.46
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ NTSR1 P30989 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ TNKS O95271 1/20 0.43
▸ MCL1 Q07820 1/20 0.41
▸ ABCG2 Q9UNQ0 2/20 0.40
▸ MAOB P27338 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ AHR P35869 1/20 0.40

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
SCHEMBL22913742 0.97 AGTR1 (0.49) AGTR1CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL21108826 0.92 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22274696 0.92 NR1H4 (0.47) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL30681564 0.92 NR1H4 (0.47) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL15505921 0.92 MEN1 (0.49) CYP1B1MEN1KMT2AALDH1A1MAPT
SCHEMBL22130381 0.91 MEN1 (0.41) AGTR1CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL38654693 0.90 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22541754 0.90 NR1H4 (0.46) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL21108827 0.90 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21108824 0.90 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTHPGD

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-20230013934-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2023-01-19 — — US disclosed
WO-2021066397-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2021-04-08 — — WO disclosed
WO-2021015497-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2021-01-28 — — WO 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 (1 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-20230013934-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CYP1B1, CYP1A1 AGTR1 2586/4885CYP1A1 3/4885CYP1A2 5/4885

“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.

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