SCHEMBL4445385

SCHEMBL4445385

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.40
NR4A2 P43354 1/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
DHODH Q02127 1/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
GRM2 Q14416 1/20 0.37
NPC1 O15118 2/20 0.37

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
SCHEMBL4445299 0.87 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2POLBRAB9AGAA
SCHEMBL4460630 0.87 GRM2 (0.41) ALDH1A1SMN1; SMN2POLBGAAKMT2A
SCHEMBL4472192 0.86 GRM2 (0.35) NR4A2GRM2
SCHEMBL4454827 0.85 ESR2 (0.39) MEN1KMT2AKDM4EHSD17B10
SCHEMBL4448421 0.85 GRM2 (0.49) RAB9AGAANPSR1MEN1KMT2A
SCHEMBL4447352 0.84 GRM2 (0.37) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL4458127 0.84 GRM2 (0.38) RAB9AMEN1KMT2AMAPTHSD17B10
SCHEMBL4469790 0.82 PTGDR2 (0.35) ALDH1A1SMN1; SMN2POLBNPSR1MEN1
SCHEMBL4453552 0.81 BRD4 (0.35) ALDH1A1SMN1; SMN2POLBRAB9AMAPT
SCHEMBL4474719 0.81 PDE3B (0.39)

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 PGR 855/4885NR4A2 3956/4885ALDH1A1 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.