SCHEMBL17433192

SCHEMBL17433192

Brc1cccc2c1ccc1[nH]c3ccccc3c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.55
GABRD O14764 1/20 0.55
GABRA1 P14867 1/20 0.55
GABRB1 P18505 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA5 P31644 1/20 0.55
GABRA3 P34903 1/20 0.55
GABRA2 P47869 1/20 0.55
GABRB2 P47870 1/20 0.55
GABRA4 P48169 1/20 0.55
GABRE P78334 1/20 0.55
GABRA6 Q16445 1/20 0.55
GABRG1 Q8N1C3 1/20 0.55
GABRG3 Q99928 1/20 0.55
GABRQ Q9UN88 1/20 0.55
IMPDH2 P12268 1/20 0.52
IMPDH1 P20839 1/20 0.52
CDK4 P11802 4/20 0.48
CCND1 P24385 4/20 0.48

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
SCHEMBL24548766 0.87 CCNE2 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12219442 0.86 GABRP (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17841966 0.86 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18758532 0.84 CDK4 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL420335 0.84 IMPDH2 (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29724222 0.84 IMPDH2 (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12240744 0.84 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31259489 0.82 IMPDH2 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22211849 0.82 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29387190 0.81 ALDH1A1 (0.50) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018070836-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME AND ELECTRONIC APPARATUS THEREFOR 덕산네오룩스 주식회사 2018-04-19 WO disclosed
US-9806271-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-10-31 US disclosed
US-9806271-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-10-31 US disclosed
US-20170162797-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2017-06-08 US disclosed
US-20170162797-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2017-06-08 US disclosed
WO-2016006959-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-01-14 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-20170162797-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME L1CAM, CHRM1, OR10J3 GABRP 4716/4885GABRD 4647/4885GABRA1 3270/4885

“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.