SCHEMBL27010576

SCHEMBL27010576

Clc1cc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)c2c(c1)oc1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.40
▸ PDE5A O76074 4/20 0.38
▸ ABCG2 Q9UNQ0 4/20 0.38
▸ PLA2G2A P14555 2/20 0.36
▸ PLA2G4A P47712 2/20 0.36
▸ NR1I3 Q14994 1/20 0.36
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ GABRA4 P48169 1/20 0.36
▸ GABRE P78334 1/20 0.36
▸ GABRA6 Q16445 1/20 0.36
▸ GABRG1 Q8N1C3 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
SCHEMBL26365935 0.95 AHR (0.42) AHRPDE5AABCG2PLA2G2APLA2G4A
SCHEMBL22112406 0.95 AHR (0.44) AHRPDE5AABCG2NR1I3GABRP
SCHEMBL24656638 0.93 ALDH1A1 (0.37) AHRPDE5AABCG2PLA2G2APLA2G4A
SCHEMBL24889860 0.91 ALDH1A1 (0.39) AHRPDE5AABCG2PLA2G2APLA2G4A
SCHEMBL23822176 0.90 AHR (0.40) AHRPDE5AABCG2LMNAMEN1
SCHEMBL23822187 0.89 ALDH1A1 (0.39) AHRPDE5AABCG2LMNAMEN1
SCHEMBL24908081 0.89 ALDH1A1 (0.39) AHRPDE5AABCG2LMNAMEN1
SCHEMBL25893604 0.89 AHR (0.39) AHRPDE5AABCG2NR1I3GABRP
SCHEMBL27279014 0.89 AHR (0.42) AHRPDE5AABCG2NR1I3ABCB1
SCHEMBL23821180 0.89 AHR (0.41) AHRPDE5AABCG2NR1I3GABRP

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-20240023433-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, MANUFACTURING METHOD OF THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO., LTD. (KR) 2024-01-18 — — US disclosed
US-20240023433-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, MANUFACTURING METHOD OF THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO., LTD. (KR) 2024-01-18 — — 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 (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-20240023433-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, MANUFACTURING METHOD OF THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE CYP1A1, CYP1B1, CYP2C9 AHR 16/4885PDE5A 2977/4885ABCG2 2892/4885

“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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