SCHEMBL4454488

SCHEMBL4454488

COc1c(-c2ccccc2)ccc(C2C(C)OC(=O)N2C)c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 3/20 0.33
CYP3A4 P08684 2/20 0.33
GRM2 Q14416 1/20 0.33
MAPT P10636 4/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
ATM Q13315 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 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
SCHEMBL4450106 0.80 BRD4 (0.35) KDM4EALDH1A1GRM2SMN1; SMN2ALOX5AP
SCHEMBL4480095 0.80 CTRC (0.35) GRM2BRD4
SCHEMBL4445385 0.78 PGR (0.40) KDM4EALDH1A1HSD17B10CYP3A4GRM2
SCHEMBL4447352 0.73 GRM2 (0.37) KDM4EALDH1A1HSD17B10GRM2MEN1
SCHEMBL4454827 0.72 ESR2 (0.39) KDM4EHSD17B10MEN1KMT2ABACE1
SCHEMBL4448421 0.72 GRM2 (0.49) GRM2RAB9AMEN1KMT2ANPSR1
SCHEMBL4458127 0.71 GRM2 (0.38) HSD17B10LMNAGRM2MAPTNPC1
SCHEMBL4469790 0.70 PTGDR2 (0.35) KDM4EALDH1A1HSD17B10LMNAGRM2
SCHEMBL9926818 0.70 TSHR (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AATM
SCHEMBL4445299 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10LMNACYP3A4MAPT

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 KDM4E 3280/4885ALDH1A1 150/4885HSD17B10 672/4885

“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.