SCHEMBL4455582

SCHEMBL4455582

Cc1ccccc1-c1ccc(N2C(=O)OC(C)C2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
DGAT1 O75907 1/20 0.37
GRM2 Q14416 3/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
SLC6A7 Q99884 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
BACE1 P56817 1/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CETP P11597 1/20 0.33

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
SCHEMBL4448420 0.83 GRM2 (0.50) TNKSGRM2TNKS2
SCHEMBL4458122 0.74 CALML3 (0.42) GRM2HDAC8HDAC6
SCHEMBL4455586 0.73 BACE1 (0.40) CA12CA1CA2CA9GRM2
SCHEMBL4445382 0.73 DHODH (0.46) GRM2CETP
SCHEMBL4469782 0.73 ROCK2 (0.37) TNKSGRM2TNKS2
SCHEMBL4444393 0.72 FADS1 (0.39) GRM2HDAC8HDAC6
SCHEMBL4474713 0.71 PDE3B (0.39)
SCHEMBL4460627 0.71 ALDH1A1 (0.43) GRM2
SCHEMBL4445293 0.70 ALDH1A1 (0.42) HDAC6
SCHEMBL4472187 0.70 GRM2 (0.36) GRM2CETP

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-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 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-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 TNKS 3250/4885CA12 1179/4885CA1 2426/4885

“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.