SCHEMBL8817511

SCHEMBL8817511

Brc1ccc2[nH]c3ccc4c5ccccc5sc4c3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 2/20 0.45
▸ GABRD O14764 2/20 0.45
▸ GABRA1 P14867 2/20 0.45
▸ GABRB1 P18505 2/20 0.45
▸ GABRG2 P18507 2/20 0.45
▸ GABRB3 P28472 2/20 0.45
▸ GABRA5 P31644 2/20 0.45
▸ GABRA3 P34903 2/20 0.45
▸ GABRA2 P47869 2/20 0.45
▸ GABRB2 P47870 2/20 0.45
▸ GABRA4 P48169 2/20 0.45
▸ GABRE P78334 2/20 0.45
▸ GABRA6 Q16445 2/20 0.45
▸ GABRG1 Q8N1C3 2/20 0.45
▸ GABRG3 Q99928 2/20 0.45
▸ GABRQ Q9UN88 2/20 0.45
▸ CCNB2 O95067 3/20 0.43
▸ CDK1 P06493 3/20 0.43
▸ CDK4 P11802 3/20 0.43
▸ CCNB1 P14635 3/20 0.43

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
SCHEMBL14789657 0.91 CDK4 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29520199 0.85 TNKS (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31684 0.85 TNKS (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29470199 0.85 TNKS (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21709327 0.84 MEN1 (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16919355 0.83 MAPT (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4554410 0.83 KDM4E (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18630464 0.83 MAPT (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21656101 0.83 KIF11 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14653493 0.83 TNKS (0.46) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9178163-B2 Compound comprising a five-membered hetero ring, an organic electrical element using same and a terminal thereof DUK SAN NEOLUX CO., LTD. (KR) 2015-11-03 — — US disclosed
US-9178163-B2 Compound comprising a five-membered hetero ring, an organic electrical element using same and a terminal thereof DUK SAN NEOLUX CO., LTD. (KR) 2015-11-03 — — US disclosed
US-20150221873-A1 COMPOUND COMPRISING A FIVE-MEMBERED HETERO RING, AN ORGANIC ELECTRICAL ELEMENT USING SAME AND A TERMINAL THEREOF DUK SAN NEOLUX CO LTD (KR) 2015-08-06 — — US disclosed
US-20150221873-A1 COMPOUND COMPRISING A FIVE-MEMBERED HETERO RING, AN ORGANIC ELECTRICAL ELEMENT USING SAME AND A TERMINAL THEREOF DUK SAN NEOLUX CO LTD (KR) 2015-08-06 — — US disclosed
US-9005779-B2 Compound comprising a five-membered hetero ring, an organic electrical element using the same and a terminal thereof DUK SAN NEOLUX CO., LTD. (KR) 2015-04-14 — — US disclosed
US-9005779-B2 Compound comprising a five-membered hetero ring, an organic electrical element using the same and a terminal thereof DUK SAN NEOLUX CO., LTD. (KR) 2015-04-14 — — US disclosed
US-20140357866-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM & HAAS ELECT MAT (KR) 2014-12-04 — — US disclosed
US-20140357866-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM & HAAS ELECT MAT (KR) 2014-12-04 — — US disclosed
US-20140077179-A1 NOVEL COMPOUND FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-03-20 — — US disclosed
WO-2013081416-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-06-06 — — WO disclosed
US-20130069049-A1 COMPOUND COMPRISING A FIVE-MEMBERED HETERO RING, AN ORGANIC ELECTRICAL ELEMENT USING THE SAME AND A TERMINAL THEREOF DUKSAN HIGH METAL CO., LTD. (KR) 2013-03-21 — — US disclosed
US-20130069049-A1 COMPOUND COMPRISING A FIVE-MEMBERED HETERO RING, AN ORGANIC ELECTRICAL ELEMENT USING THE SAME AND A TERMINAL THEREOF DUKSAN HIGH METAL CO., LTD. (KR) 2013-03-21 — — US disclosed
WO-2013012297-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-01-24 — — WO disclosed
WO-2012067425-A1 NOVEL COMPOUND FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-05-24 — — 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 (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-20130069049-A1 COMPOUND COMPRISING A FIVE-MEMBERED HETERO RING, AN ORGANIC ELECTRICAL ELEMENT USING THE SAME AND A TERMINAL THEREOF VDAC2, OR10J3, VDAC1 GABRP 1722/4885GABRD 951/4885GABRA1 914/4885
US-20150221873-A1 COMPOUND COMPRISING A FIVE-MEMBERED HETERO RING, AN ORGANIC ELECTRICAL ELEMENT USING SAME AND A TERMINAL THEREOF EML4, KCNN4, OR10J3 GABRP 3980/4885GABRD 3367/4885GABRA1 3349/4885

“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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