SCHEMBL4458253

SCHEMBL4458253

Cc1cc(N2C(=O)OCC2C)ccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
ESR2 Q92731 1/20 0.39
EPHX1 P07099 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
STING1 Q86WV6 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PIK3CA P42336 1/20 0.36
MAP4K1 Q92918 5/20 0.35
NAAA Q02083 1/20 0.34
IDH1 O75874 1/20 0.34
NOTUM Q6P988 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL4452498 0.83 HDAC1 (0.42) PDE3BPDE3APIK3C3HDAC1HDAC8
SCHEMBL4449982 0.81 HDAC1 (0.39) PDE3BPDE3APIK3C3HDAC1HDAC8
SCHEMBL6883044 0.78 NOTUM (0.44) ALDH1A1MAOAMAP4K1NAAAIDH1
SCHEMBL6871051 0.78 NOTUM (0.44) ALDH1A1MAOAMAP4K1NAAAIDH1
SCHEMBL8585033 0.78 NOTUM (0.44) ALDH1A1MAOAMAP4K1NAAAIDH1
SCHEMBL4454822 0.77 ESR2 (0.40) PDE3BPDE3AESR2EPHX1ALDH1A1
SCHEMBL4458260 0.71 PDE3B (0.41) PDE3BPDE3AESR2EPHX1ALDH1A1
SCHEMBL1937070 0.71 MAP4K1 (0.43) ALDH1A1MAP4K1
SCHEMBL2365947 0.69 USP2 (0.46) ALDH1A1NAAA
SCHEMBL2365957 0.67 ALDH1A1 (0.43) ALDH1A1IDH1

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 PDE3B 59/4885PDE3A 87/4885ESR2 2810/4885

“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.