SCHEMBL19237403

SCHEMBL19237403

c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
PPARG P37231 9/20 0.33
PPARA Q07869 9/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TNF P01375 1/20 0.33
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
PPARD Q03181 1/20 0.32
CYP1A2 P05177 1/20 0.32
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 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
SCHEMBL19237167 1.00 CA12 (0.36) CA12CA1CA2CA9PPARG
SCHEMBL25088907 0.94 CA12 (0.32) CA12CA1CA2CA9TNF
SCHEMBL26000978 0.93 CA12 (0.34) CA12CA1CA2CA9PPARG
SCHEMBL26003052 0.93 CA12 (0.34) CA12CA1CA2CA9PPARG
SCHEMBL19850004 0.93 CA12 (0.37) CA12CA1CA2CA9PPARG
SCHEMBL19011248 0.93 CA12 (0.37) CA12CA1CA2CA9PPARG
SCHEMBL26003080 0.93 CA12 (0.35) CA12CA1CA2CA9PPARG
SCHEMBL25608167 0.92 CA12 (0.39) CA12CA1CA2CA9PPARG
SCHEMBL26003086 0.92 CA12 (0.34) CA12CA1CA2CA9PPARG
SCHEMBL26022039 0.92 CA12 (0.35) CA12CA1CA2CA9PPARG

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
EP-3411455-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
US-20190040034-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-02-07 US disclosed
WO-2017133829-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-08-10 WO 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-20190040034-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, GPX1, EPX CA12 1473/4885CA1 2585/4885CA2 4290/4885

“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.