SCHEMBL29520332

SCHEMBL29520332

c1ccc2c(c1)[nH]c1c2ccc2oc3ccccc3c21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.58
GABRD O14764 2/20 0.58
GABRA1 P14867 2/20 0.58
GABRB1 P18505 2/20 0.58
GABRG2 P18507 2/20 0.58
GABRB3 P28472 2/20 0.58
GABRA5 P31644 2/20 0.58
GABRA3 P34903 2/20 0.58
GABRA2 P47869 2/20 0.58
GABRB2 P47870 2/20 0.58
GABRA4 P48169 2/20 0.58
GABRE P78334 2/20 0.58
GABRA6 Q16445 2/20 0.58
GABRG1 Q8N1C3 2/20 0.58
GABRG3 Q99928 2/20 0.58
GABRQ Q9UN88 2/20 0.58
KIF11 P52732 5/20 0.50
CDK5 Q00535 4/20 0.46
CDK5R1 Q15078 3/20 0.46
DYRK1A Q13627 2/20 0.46

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
SCHEMBL12105369 1.00 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29357643 1.00 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17433180 0.91 KIF11 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17380874 0.90 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25703851 0.89 KDM4E (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17381201 0.88 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18688077 0.85 CDK5 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15126676 0.84 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15127073 0.84 KDM4E (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16925770 0.83 CDK5 (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240357926-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-10-24 US disclosed
EP-3898888-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-08-03 EP disclosed
US-11309497-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-04-19 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-20240357926-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, L1CAM, EPCAM GABRP 3647/4885GABRD 3847/4885GABRA1 3076/4885
US-11309497-B2 Materials for organic electroluminescent devices DDT, ESD, TST GABRP 4040/4885GABRD 1626/4885GABRA1 3110/4885

“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.