SCHEMBL20150606

SCHEMBL20150606

c1ccc([Si]2(c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5ccccc45)c3)c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
PPARG P37231 8/20 0.32
PPARA Q07869 8/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPARD Q03181 1/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30

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
SCHEMBL20150608 0.94 PPARG (0.33) MCL1ACMSDPPARGPPARACYP2C9
SCHEMBL20150598 0.94 PPARG (0.34) MCL1ACMSDPPARGPPARACYP2C9
SCHEMBL20150625 0.93 CA12 (0.35) MCL1ACMSDPPARGPPARACA12
SCHEMBL20150623 0.93 CA12 (0.34) MCL1ACMSDPPARGPPARACYP2C9
SCHEMBL20150610 0.92 CA12 (0.36) MCL1ACMSDPPARGPPARACYP2C9
SCHEMBL20150597 0.91 CA12 (0.34) MCL1ACMSDPPARGPPARACYP2C9
SCHEMBL20150630 0.90
SCHEMBL20150629 0.90
SCHEMBL20150617 0.89 MAOA (0.33) MCL1ACMSDENPP3ENPP1SIGMAR1
SCHEMBL20150611 0.89 CA12 (0.37) MCL1ACMSDPPARGPPARACYP2C9

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-10550134-B2 Heterocyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-04 US disclosed
US-20180134732-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-17 US disclosed
US-20180134732-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-17 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 (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-10550134-B2 Heterocyclic compound and organic electroluminescence device including the same ODC1, KCNC1, KCNH1 MCL1 984/4885ACMSD 279/4885PPARG 2162/4885
US-20180134732-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME ODC1, KCNC1, KCNH1 MCL1 984/4885ACMSD 279/4885PPARG 2162/4885

“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.