SCHEMBL4445382

SCHEMBL4445382

COc1cc(N2C(=O)OC(C)C2C)ccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
PGR P06401 1/20 0.41
EGLN1 Q9GZT9 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GLS O94925 1/20 0.38
GLS2 Q9UI32 1/20 0.38
GRM2 Q14416 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
ROCK2 O75116 3/20 0.37
MCHR1 Q99705 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 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
SCHEMBL4460627 0.88 ALDH1A1 (0.43) DHODHALDH1A1GRM2NPC1RAB9A
SCHEMBL4445293 0.86 ALDH1A1 (0.42) DHODHALDH1A1NPC1RAB9AMAPT
SCHEMBL4472187 0.85 GRM2 (0.36) DHODHGRM2CETP
SCHEMBL4448420 0.84 GRM2 (0.50) ALDH1A1GRM2NPC1RAB9AMAPT
SCHEMBL4458122 0.83 CALML3 (0.42) ALDH1A1GRM2NPC1RAB9AMAPT
SCHEMBL4469782 0.82 ROCK2 (0.37) GRM2ROCK2
SCHEMBL4474713 0.80 PDE3B (0.39)
SCHEMBL4444393 0.74 FADS1 (0.39) GRM2PTPRCPTPN1
SCHEMBL4455582 0.73 TNKS (0.39) GRM2CETP
SCHEMBL4463013 0.69 TNKS (0.41) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19

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 DHODH 200/4885PGR 855/4885EGLN1 2610/4885

“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.