SCHEMBL4351537

SCHEMBL4351537

CC(=O)Nc1ccc(OC(C)=O)cc1OCC1(C)COC(C)(C)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
CYP19A1 P11511 1/20 0.37
KMT2A Q03164 3/20 0.37
PKM P14618 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
BRD4 O60885 2/20 0.36
CCR1 P32246 4/20 0.36
HSD17B1 P14061 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
SCHEMBL3201062 0.91 KDM4E (0.45) KDM4EHPGDALDH1A1HSD17B10GLA
SCHEMBL4190413 0.85 CCR1 (0.42) LMNANPC1RAB9ACYP19A1MAPT
SCHEMBL4190419 0.85 CCR1 (0.42) LMNANPC1RAB9ACYP19A1MAPT
SCHEMBL4343117 0.85 CCR1 (0.42) LMNANPC1RAB9ACYP19A1MAPT
SCHEMBL4216929 0.80 ALDH1A1 (0.51) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL4216922 0.80 ALDH1A1 (0.51) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL4210229 0.78 KMT2A (0.44) HSD17B10LMNASMN1; SMN2CYP19A1KMT2A
SCHEMBL4695567 0.78 KMT2A (0.44) HSD17B10LMNASMN1; SMN2CYP19A1KMT2A
SCHEMBL4210226 0.78 KMT2A (0.44) HSD17B10LMNASMN1; SMN2CYP19A1KMT2A
SCHEMBL4341205 0.76 ALDH1A1 (0.39) KDM4EALDH1A1GAALMNAKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027105-A2 NOVEL PROCESS FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS AstraZeneca AB (SE) 2009-02-25 EP claimed
US-20080064884-A1 Novel Process 1 ASTRAZENECA AB (SE) 2008-03-13 US claimed
WO-2007129960-A2 NOVEL PROCESSES FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS ASTRAZENECA AB (SE) 2007-11-15 WO claimed
EP-2027105-A2 NOVEL PROCESS FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS AstraZeneca AB (SE) 2009-02-25 EP disclosed
US-20080064884-A1 Novel Process 1 ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064884-A1 Novel Process 1 ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064884-A1 Novel Process 1 ASTRAZENECA AB (SE) 2008-03-13 US disclosed
WO-2007129960-A2 NOVEL PROCESSES FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
WO-2007129960-A2 NOVEL PROCESSES FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS ASTRAZENECA AB (SE) 2007-11-15 WO 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-20080064884-A1 Novel Process 1 TPX2, UGT1A1, BRIX1 KDM4E 2494/4885HPGD 1613/4885ALDH1A1 294/4885

“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.