SCHEMBL4445293

SCHEMBL4445293

CC(C)Oc1cc(N2C(=O)OC(C)C2C)ccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
DHODH Q02127 1/20 0.37
PTGDR Q13258 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
MAPK1 P28482 1/20 0.36
STAT1 P42224 1/20 0.36
CASP3 P42574 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4445382 0.86 DHODH (0.46) ALDH1A1DHODHSMN1; SMN2NPC1RAB9A
SCHEMBL4460627 0.84 ALDH1A1 (0.43) ALDH1A1HPGDDHODHSMN1; SMN2NPC1
SCHEMBL4472187 0.82 GRM2 (0.36) DHODH
SCHEMBL4454822 0.81 ESR2 (0.40) ALDH1A1KMT2AMEN1MAPT
SCHEMBL4458122 0.80 CALML3 (0.42) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL4469782 0.79 ROCK2 (0.37)
SCHEMBL4474713 0.77 PDE3B (0.39)
SCHEMBL4445299 0.75 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL4448420 0.74 GRM2 (0.50) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL4444393 0.71 FADS1 (0.39) HDAC6

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 137/4885DHODH 200/4885

“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.