SCHEMBL20150608

SCHEMBL20150608

c1ccc([Si]2(c3ccc4cc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6ccccc56)ccc4c3)c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.33
PPARA Q07869 9/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPARD Q03181 1/20 0.32
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL20150606 0.94 MCL1 (0.33) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL20150598 0.94 PPARG (0.34) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL20150614 0.93 ENPP3 (0.32) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL20150623 0.93 CA12 (0.34) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL20150615 0.92 CA12 (0.34) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL20150625 0.91 CA12 (0.35) PPARGPPARAMCL1ACMSD
SCHEMBL20150597 0.91 CA12 (0.34) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL20150629 0.90
SCHEMBL20150630 0.90
SCHEMBL20150631 0.88

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 PPARG 2162/4885PPARA 2427/4885CYP2C9 42/4885
US-20180134732-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME ODC1, KCNC1, KCNH1 PPARG 2162/4885PPARA 2427/4885CYP2C9 42/4885

“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.