SCHEMBL3201062

SCHEMBL3201062

CC(=O)Nc1ccc(OC(C)=O)cc1OCC1(C)CO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP19A1 P11511 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
CCR1 P32246 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.38
PTK2 Q05397 1/20 0.38

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
SCHEMBL4351537 0.91 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL4216922 0.89 ALDH1A1 (0.51) ALDH1A1LMNANPC1RAB9AHSD17B1
SCHEMBL4216929 0.89 ALDH1A1 (0.51) ALDH1A1LMNANPC1RAB9AHSD17B1
SCHEMBL4210229 0.86 KMT2A (0.44) HSD17B10LMNACYP19A1KMT2ASMN1; SMN2
SCHEMBL4210226 0.86 KMT2A (0.44) HSD17B10LMNACYP19A1KMT2ASMN1; SMN2
SCHEMBL4695567 0.86 KMT2A (0.44) HSD17B10LMNACYP19A1KMT2ASMN1; SMN2
SCHEMBL4185400 0.83 CYP19A1 (0.44) NPC1RAB9ACYP19A1CCR1BRD4
SCHEMBL4193569 0.83 CYP19A1 (0.44) NPC1RAB9ACYP19A1CCR1BRD4
SCHEMBL6211946 0.82 CCR1 (0.47) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL6206966 0.79 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041905-A1 Process for the Preparation of Substituted 2-Acetylamino-Alkoxyphenyl ASTRAZENECA AB (SE) 2010-02-18 US claimed
EP-2044045-A2 A PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-ACETYLAMINO-ALKOXYPHENYL AstraZeneca AB (SE) 2009-04-08 EP claimed
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-2008010764-A2 A PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-ACETYLAMINO-ALKOXYPHENYL ASTRAZENECA AB (SE) 2008-01-24 WO claimed
WO-2007129960-A2 NOVEL PROCESSES FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20100041905-A1 Process for the Preparation of Substituted 2-Acetylamino-Alkoxyphenyl ASTRAZENECA AB (SE) 2010-02-18 US disclosed
US-20100041905-A1 Process for the Preparation of Substituted 2-Acetylamino-Alkoxyphenyl ASTRAZENECA AB (SE) 2010-02-18 US disclosed
US-20100041905-A1 Process for the Preparation of Substituted 2-Acetylamino-Alkoxyphenyl ASTRAZENECA AB (SE) 2010-02-18 US disclosed
EP-2044045-A2 A PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-ACETYLAMINO-ALKOXYPHENYL AstraZeneca AB (SE) 2009-04-08 EP disclosed
WO-2009035407-A1 USE OF INTERMEDIATES ((R ) -2,2, 4-TRIMETHYL-L, 3-DIOXOLANE-4-YL) METHANOL (A), 3-F LUORO-4-NITRO-PHENOL (B) AND 1- (4-CHLORO- BENZYL) -PIPERIDIN-4-YLAMINE (C) ASTRAZENECA AB (SE) 2009-03-19 WO disclosed
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-2008010764-A2 A PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-ACETYLAMINO-ALKOXYPHENYL ASTRAZENECA AB (SE) 2008-01-24 WO disclosed
WO-2008010764-A2 A PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-ACETYLAMINO-ALKOXYPHENYL ASTRAZENECA AB (SE) 2008-01-24 WO 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 (2 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 2494/4885ALDH1A1 294/4885HPGD 1613/4885
US-20100041905-A1 Process for the Preparation of Substituted 2-Acetylamino-Alkoxyphenyl F12, RPS4Y1, CCNA1 KDM4E 989/4885ALDH1A1 126/4885HPGD 1589/4885

“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.