SCHEMBL18687720

SCHEMBL18687720

c1ccc2c(c1)[nH]c1c3ccccc3c3c(ccc4c5ccccc5oc43)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.50
▸ GABRD O14764 1/20 0.50
▸ GABRA1 P14867 1/20 0.50
▸ GABRB1 P18505 1/20 0.50
▸ GABRG2 P18507 1/20 0.50
▸ GABRB3 P28472 1/20 0.50
▸ GABRA5 P31644 1/20 0.50
▸ GABRA3 P34903 1/20 0.50
▸ GABRA2 P47869 1/20 0.50
▸ GABRB2 P47870 1/20 0.50
▸ GABRA4 P48169 1/20 0.50
▸ GABRE P78334 1/20 0.50
▸ GABRA6 Q16445 1/20 0.50
▸ GABRG1 Q8N1C3 1/20 0.50
▸ GABRG3 Q99928 1/20 0.50
▸ GABRQ Q9UN88 1/20 0.50
▸ MAP3K11 Q16584 3/20 0.45
▸ MAP3K9 P80192 2/20 0.45
▸ CDK5 Q00535 5/20 0.44
▸ CDK5R1 Q15078 4/20 0.44

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
SCHEMBL18687723 0.94 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16049927 0.86 MAP3K11 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17465511 0.86 MAP3K11 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18086412 0.86 MAP3K11 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15796884 0.85 KIF11 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17228831 0.84 MAP3K11 (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29506369 0.84 MAP3K11 (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30883881 0.84 MAP3K11 (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17381201 0.84 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19961758 0.84 KIF11 (0.54) GABRPGABRDGABRA1GABRB1GABRG2

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-10840457-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2020-11-17 — — US disclosed
WO-2017052099-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2017-03-30 — — 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-10840457-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof PIEZO1, OR10J3, OCIAD1 GABRP 4674/4885GABRD 4583/4885GABRA1 3788/4885

“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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