SCHEMBL21869769

SCHEMBL21869769

c1ccc(-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)cc3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc(-c7ccc(-c8cccc9ccccc89)cc7)c(-c7ccccc7)c6)cc5)c5ccccc45)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
MCL1 Q07820 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
TNF P01375 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PPARG P37231 7/20 0.39
PPARA Q07869 7/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
MPI P34949 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39

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
SCHEMBL17917833 1.00 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL17996149 1.00 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL17996160 1.00 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL17996156 1.00 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL25286865 1.00 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL17917941 1.00 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL25240443 1.00 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL17917947 1.00 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL21869931 1.00 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL17917908 1.00 CA12 (0.47) CA12CA1CA2CA9MCL1

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-10593884-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2020-03-17 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 (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-10593884-B2 Organic electroluminescent device AHR, SLC18A1, KCNH1 CA12 4647/4885CA1 4574/4885CA2 4215/4885

“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.