SCHEMBL26089210

SCHEMBL26089210

c1ccc2c(-c3ccc4ccscc3-4)cccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.45
NQO2 P16083 1/20 0.44
CA12 O43570 6/20 0.41
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA9 Q16790 6/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL31378184 0.82 NQO2 (0.53) PTPRCNQO2CA12CA1CA2
SCHEMBL7874320 0.82 NQO2 (0.53) PTPRCNQO2CA12CA1CA2
SCHEMBL28364735 0.77 CA12 (0.49) CA12CA1CA2CA9HDAC8
SCHEMBL14461163 0.77 NQO2 (0.53) PTPRCNQO2CA12CA1CA2
SCHEMBL28724812 0.77 NQO2 (0.56) PTPRCNQO2ENPP1CYP2E1CYP2A6
SCHEMBL12270218 0.77 KDM4E (0.40) NQO2CA12CA1CA2CA9
SCHEMBL30366970 0.75 TNF (0.47) NQO2CA12CA1CA2CA9
SCHEMBL3798335 0.74 CA12 (0.62) CA12CA1CA2CA9HDAC8
SCHEMBL11769051 0.74 NQO2 (0.53) PTPRCNQO2CYP2E1CYP2A6CYP2B6
SCHEMBL6077039 0.74 ALDH1A1 (0.56) CYP2A6

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-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

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-20230130802-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OR10J3, ELAVL1, EML4 PTPRC 419/4885NQO2 2919/4885CA12 1606/4885

“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.