SCHEMBL29378233

SCHEMBL29378233

c1ccc2sc(-c3csc4ccccc34)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.47
NQO2 P16083 1/20 0.47
APP P05067 2/20 0.46
CYP19A1 P11511 1/20 0.44
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ERN1 O75460 3/20 0.40
PRKDC P78527 2/20 0.39
CYP2A6 P11509 2/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
BACE1 P56817 1/20 0.39
PIK3CA P42336 2/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL17010957 1.00 NQO1 (0.47) NQO1NQO2APPCYP19A1HSD17B1
SCHEMBL13299961 0.88 CYP2A6 (0.42) NQO1NQO2APPERN1PRKDC
SCHEMBL4472854 0.84 CLK1 (0.41) NQO1NQO2APPCYP19A1HSD17B1
SCHEMBL17010958 0.83 NQO1 (0.47) NQO1NQO2APPCYP19A1HSD17B1
SCHEMBL23556007 0.81 ERN1 (0.38) NQO1NQO2APPERN1PRKDC
SCHEMBL23555735 0.81 APP (0.43) APPHSD17B1HSD17B2CA1CA2
SCHEMBL18357388 0.80 CYP19A1 (0.50) NQO1NQO2APPCYP19A1HSD17B1
SCHEMBL19497669 0.79 NQO1 (0.51) NQO1NQO2APPCYP19A1HSD17B1
SCHEMBL19133572 0.78 APP (0.57) NQO1NQO2APPCYP19A1HSD17B1
SCHEMBL27989389 0.78 APP (0.57) NQO1NQO2APPCYP19A1HSD17B1

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-20230130802-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-04-27 US disclosed
US-20230096621-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2023-03-30 US disclosed
US-20220041615-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2022-02-10 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 (3 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-20230096621-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME L1CAM, OR10J3, EPCAM NQO1 450/4885NQO2 1913/4885APP 3575/4885
US-20230130802-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OR10J3, ELAVL1, EML4 NQO1 758/4885NQO2 2919/4885APP 3389/4885
US-20220041615-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OR10J3, EPCAM, ICOSLG NQO1 554/4885NQO2 2178/4885APP 3920/4885

“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.