SCHEMBL13706287

SCHEMBL13706287

c1ccc(-c2cc3ccccc3cc2-c2ccc3sc4ccc(-c5cccc6ccccc56)cc4c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
F9 P00740 1/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
PPARG P37231 8/20 0.42
PPARA Q07869 8/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARD Q03181 1/20 0.42
TNF P01375 1/20 0.41
S1PR4 O95977 2/20 0.40
S1PR5 Q9H228 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL14410440 0.91 MCL1 (0.47) MCL1ACMSDF9CA12CA1
SCHEMBL13979505 0.88 CA12 (0.47) MCL1ACMSDF9CA12CA1
SCHEMBL13706282 0.87 PIM3 (0.44) F9S1PR4S1PR5PTGS2KDM4E
SCHEMBL21131737 0.87 MCL1 (0.43) MCL1ACMSDF9CA12CA1
SCHEMBL12023535 0.87 CA12 (0.46) MCL1ACMSDF9CA12CA1
SCHEMBL13706288 0.86 CYP11B1 (0.44) PTGS2KDM4EMEN1ALDH1A1MAPT
SCHEMBL12023537 0.85 CA12 (0.48) MCL1ACMSDF9CA12CA1
SCHEMBL14410437 0.85 CA12 (0.47) MCL1ACMSDF9CA12CA1
SCHEMBL13706295 0.85 F9 (0.39) MCL1ACMSDF9CA12CA1
SCHEMBL13520281 0.84 GSTP1 (0.44) S1PR4S1PR5HDAC8PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090230852-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-09-17 US disclosed
US-20090230852-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-09-17 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-20090230852-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OXER1, L1CAM, RPL41 MCL1 1433/4885ACMSD 3225/4885F9 4067/4885

“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.