SCHEMBL4453546

SCHEMBL4453546

CC(=O)c1cc(N2C(=O)OC(C)C2C)ccc1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RECQL P46063 1/20 0.35
ALOX15 P16050 1/20 0.34
HSD11B1 P28845 1/20 0.34
GRM5 P41594 1/20 0.34
BRD4 O60885 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CHEK1 O14757 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 2/20 0.32
PTGS2 P35354 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
FOLH1 Q04609 1/20 0.32

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
SCHEMBL4458122 0.81 CALML3 (0.42) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL4469782 0.80 ROCK2 (0.37) PTGDR2TNKS
SCHEMBL4460627 0.78 ALDH1A1 (0.43) ALDH1A1HPGDMAPTGRM5SMN1; SMN2
SCHEMBL4474713 0.78 PDE3B (0.39)
SCHEMBL4472187 0.76 GRM2 (0.36)
SCHEMBL4453552 0.75 BRD4 (0.35) ALDH1A1HPGDMAPTALOX15HSD11B1
SCHEMBL4444393 0.72 FADS1 (0.39)
SCHEMBL4455582 0.71 TNKS (0.39) TNKS
SCHEMBL4448420 0.69 GRM2 (0.50) ALDH1A1HPGDMAPTHSD11B1SMN1; SMN2
SCHEMBL5951431 0.67 SMN1; SMN2 (0.53) MAPTMEN1KMT2AHSD11B1BRD4

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 ALDH1A1 150/4885HPGD 137/4885MAPT 3483/4885

“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.