SCHEMBL20150616

SCHEMBL20150616

c1ccc(-c2ccc([Si]3(c4ccc5cc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc7c(c6)oc6ccccc67)ccc5c4)c4ccccc4Oc4ccccc43)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
DUSP3 P51452 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 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
SCHEMBL20150620 0.97 PPARG (0.31) DUSP3PPARGPPARA
SCHEMBL20150599 0.94 DUSP3 (0.32) DUSP3PPARGPPARA
SCHEMBL20150615 0.91 CA12 (0.34) CA12CA1CA2CA9PPARG
SCHEMBL24643946 0.89 CA12 (0.30) CA12CA1CA2CA9
SCHEMBL20150605 0.88 ALOX5 (0.34)
SCHEMBL20150636 0.87 AHR (0.33)
SCHEMBL20150629 0.87
SCHEMBL24644044 0.86 CA12 (0.33) CA12CA1CA2CA9DUSP3
SCHEMBL20150610 0.85 CA12 (0.36) CA12CA1CA2CA9PPARG
SCHEMBL20150618 0.85 DUSP3 (0.31) DUSP3

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 CA12 2684/4885CA1 2336/4885CA2 2996/4885
US-20180134732-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME ODC1, KCNC1, KCNH1 CA12 2684/4885CA1 2336/4885CA2 2996/4885

“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.