SCHEMBL23095360

SCHEMBL23095360

COC(=O)c1ccccc1-c1cnc(-c2ccccc2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.48
SLC6A4 P31645 3/20 0.48
ATR Q13535 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
AXL P30530 1/20 0.46
MAPT P10636 1/20 0.46
SLC6A2 P23975 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TOP2A P11388 1/20 0.43
FAAH O00519 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PTGS1 P23219 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL11260165 0.79 PSMD14 (0.50) AXLMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL22256434 0.77 SLC6A3 (0.65) SLC6A3SLC6A4GABRA1GABRG2GABRB3
SCHEMBL31109161 0.77 SLC6A3 (0.65) SLC6A3SLC6A4GABRA1GABRG2GABRB3
SCHEMBL22256425 0.77 SLC6A3 (0.65) SLC6A3SLC6A4GABRA1GABRG2GABRB3
SCHEMBL1775832 0.77 SLC6A3 (0.74) SLC6A3SLC6A4GABRA1GABRG2GABRB3
SCHEMBL18539206 0.77 SLC6A3 (0.59) SLC6A3SLC6A4MAPTSLC6A2SMN1; SMN2
SCHEMBL5072166 0.77 SLC6A3 (0.59) SLC6A3SLC6A4MAPTSLC6A2SMN1; SMN2
SCHEMBL69464 0.76 SLC6A3 (0.67) SLC6A3SLC6A4MAPTSLC6A2SMN1; SMN2
Bicarbonate SCHEMBL6812921 0.76 SLC6A3 (0.63) SLC6A3SLC6A4GABRA1GABRG2GABRB3
Hydrogen Sulfide SCHEMBL27780017 0.76 SLC6A3 (0.63) SLC6A3SLC6A4GABRA1GABRG2GABRB3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10950806-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2021-03-16 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 (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-10950806-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same OR10J3, ORC3, ICOSLG SLC6A3 3094/4885SLC6A4 2764/4885ATR 2039/4885

“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.