SCHEMBL21040955

SCHEMBL21040955

c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(N(c3ccccc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PPARG P37231 9/20 0.46
PPARA Q07869 9/20 0.46
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
PPARD Q03181 1/20 0.45
MCL1 Q07820 1/20 0.45
ACMSD Q8TDX5 1/20 0.45
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45
TNF P01375 1/20 0.44
CYP1A2 P05177 2/20 0.44
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43

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
SCHEMBL3661216 1.00 CA12 (0.49) CA12CA1CA2CA9HDAC8
SCHEMBL2777240 1.00 CA12 (0.49) CA12CA1CA2CA9HDAC8
SCHEMBL14490066 0.98 CA12 (0.51) CA12CA1CA2CA9HDAC8
SCHEMBL20313421 0.98 CA12 (0.47) CA12CA1CA2CA9HDAC8
SCHEMBL14270741 0.98 CA12 (0.51) CA12CA1CA2CA9HDAC8
SCHEMBL14490067 0.98 CA12 (0.51) CA12CA1CA2CA9HDAC8
SCHEMBL14490051 0.98 CA12 (0.51) CA12CA1CA2CA9HDAC8
SCHEMBL3661222 0.98 CA12 (0.51) CA12CA1CA2CA9HDAC8
SCHEMBL7596413 0.98 CA12 (0.51) CA12CA1CA2CA9HDAC8
SCHEMBL7591547 0.98 CA12 (0.51) CA12CA1CA2CA9HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301338-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-05-28 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-10301338-B2 Organic electroluminescent materials and devices PNMT, TAAR5, TST CA12 4547/4885CA1 4217/4885CA2 3464/4885

“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.