SCHEMBL4453552

SCHEMBL4453552

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
FOLH1 Q04609 1/20 0.34
ALDH1A1 P00352 6/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 1/20 0.34
PTGS2 P35354 1/20 0.34
LMNA P02545 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
HSD11B1 P28845 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
FFAR1 O14842 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 2/20 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
SCHEMBL4454827 0.83 ESR2 (0.39) BRD4HSD17B10
SCHEMBL4447352 0.81 GRM2 (0.37) ALDH1A1HSD11B1FFAR1HSD17B10
SCHEMBL4458127 0.81 GRM2 (0.38) HPGDMAPTPTGS2LMNAHSD17B10
SCHEMBL4469790 0.81 PTGDR2 (0.35) ALDH1A1HPGDLMNAUSP2SMN1; SMN2
SCHEMBL4445385 0.81 PGR (0.40) ALDH1A1HPGDMAPTSMN1; SMN2POLB
SCHEMBL4445299 0.80 ALDH1A1 (0.39) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL4474719 0.79 PDE3B (0.39)
SCHEMBL4460630 0.78 GRM2 (0.41) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL4472192 0.77 GRM2 (0.35) PTGDR2
SCHEMBL4453546 0.75 ALDH1A1 (0.35) BRD4FOLH1ALDH1A1HPGDMAPT

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 BRD4 2170/4885FOLH1 1136/4885ALDH1A1 150/4885

“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.