SCHEMBL4458260

SCHEMBL4458260

Cc1cc(C2COC(=O)N2C)ccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
ESR2 Q92731 1/20 0.39
BRD4 O60885 4/20 0.37
EPHX1 P07099 1/20 0.37
CYP19A1 P11511 2/20 0.36
SCD5 Q86SK9 1/20 0.36
HSD17B2 P37059 1/20 0.35
BACE1 P56817 1/20 0.34
IDH1 O75874 1/20 0.34
MAOB P27338 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 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
SCHEMBL4452503 0.83 P2RX7 (0.39) PDE3BPDE3A
SCHEMBL4449987 0.81 HCRTR1 (0.39) PDE3BPDE3A
SCHEMBL5286742 0.78 IDH1 (0.43) IDH1ALDH1A1
SCHEMBL2615701 0.78 IDH1 (0.43) IDH1ALDH1A1
SCHEMBL5281444 0.78 IDH1 (0.43) IDH1ALDH1A1
SCHEMBL2308885 0.75 BRD4 (0.40) BRD4KDM4EALDH1A1GLAGAA
SCHEMBL4454827 0.74 ESR2 (0.39) PDE3BPDE3AESR2BRD4EPHX1
SCHEMBL10308940 0.72 MTOR (0.38)
SCHEMBL8168600 0.72 MTOR (0.38)
SCHEMBL4458253 0.71 PDE3B (0.41) PDE3BPDE3AESR2EPHX1CYP19A1

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.