SCHEMBL22708476

SCHEMBL22708476

c1ccc(N(c2ccccc2)c2cc3oc4c(ccc5c6ccccc6[nH]c54)c3c3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ GABRA4 P48169 1/20 0.38
▸ GABRE P78334 1/20 0.38
▸ GABRA6 Q16445 1/20 0.38
▸ GABRG1 Q8N1C3 1/20 0.38
▸ GABRG3 Q99928 1/20 0.38
▸ GABRQ Q9UN88 1/20 0.38
▸ KIF11 P52732 6/20 0.36
▸ CDK5 Q00535 3/20 0.35
▸ CDK5R1 Q15078 2/20 0.35
▸ DYRK1A Q13627 2/20 0.34

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
SCHEMBL22708610 0.85 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22739341 0.84 AHR (0.38) DYRK1AMEN1KMT2AL3MBTL1AHR
SCHEMBL22708507 0.83 GABRP (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22708416 0.81 HPGD (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22708746 0.81 CDK4 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22740845 0.79 AHR (0.35) MEN1KMT2AL3MBTL1AHRHSD17B10
SCHEMBL22739510 0.79 AHR (0.35) MEN1KMT2AAHR
SCHEMBL15852091 0.78 KDM4E (0.40) POLBKMT2AL3MBTL1AHRALDH1A1
SCHEMBL15852044 0.77 AHR (0.34) CDK5CDK5R1DYRK1AGSK3BMEN1
SCHEMBL15852090 0.76 CYP1A1 (0.43) KMT2AAHRALDH1A1HSD17B10

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-11588110-B2 Heterocyclic compound and organic light emitting device comprising the same LT MATERIALS CO., LTD. (KR) 2023-02-21 — — US disclosed
US-20200373499-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LT MATERIALS CO., LTD. (KR) 2020-11-26 — — 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-11588110-B2 Heterocyclic compound and organic light emitting device comprising the same CRY1, CYP1A1, CYP1B1 GABRP 4220/4885GABRD 3081/4885GABRA1 1458/4885
US-20200373499-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CYP1A1, CYP1B1 GABRP 4220/4885GABRD 3081/4885GABRA1 1458/4885

“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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