SCHEMBL2554744

SCHEMBL2554744

CCOC(=O)CCc1c(C)c2ccc(O)cc2oc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 1.00
ALDH1A1 P00352 8/20 1.00
HPGD P15428 7/20 1.00
HSD17B10 Q99714 7/20 1.00
GLA P06280 4/20 1.00
GAA P10253 3/20 1.00
CASP1 P29466 3/20 1.00
CASP7 P55210 3/20 1.00
TSHR P16473 3/20 0.73
HSD17B3 P37058 4/20 0.70
PKM P14618 1/20 0.62
MAPT P10636 4/20 0.62
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
TP53 P04637 2/20 0.58
NPSR1 Q6W5P4 2/20 0.56
ERAP1 Q9NZ08 1/20 0.56
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL30406107 1.00 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL10955623 0.88 KDM4E (0.78) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL7798964 0.85 KDM4E (0.74) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL7023152 0.85 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL11097084 0.83 HSD17B3 (0.89) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL3767036 0.83 HSD17B3 (1.00) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL14925307 0.83 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL19767586 0.83 ALDH1A1 (0.71) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL7024344 0.82 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL10795060 0.82 HSD17B3 (0.86) 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110172051-B IRE-1 alpha inhibitors 复星弘创(苏州)医药科技有限公司 2023-03-07 CN disclosed
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 US disclosed
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 US disclosed
EP-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 EP disclosed
EP-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 EP disclosed
EP-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 EP disclosed
EP-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 EP disclosed
US-20190314330-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-10-17 US disclosed
US-20190314330-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-10-17 US disclosed
US-10357475-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-07-23 US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 US disclosed
WO-2011127070-A2 IRE-1α INHIBITORS MANNKIND CORPORATION (US) 2011-10-13 WO disclosed
EP-0538053-B1 Separation and analysis MARCONI OPTICAL COMPONENTS LTD (GB) 2003-01-22 EP disclosed
US-6225043-B1 IMMUNOASSAY IN WHICH ONE OF THE SPECIES IS MASKED AND NOT CAPABLE OF UNDERGOING SPECIFIC BINDING UNLESS REACTED WITH ENZYME WHICH EXPOSES ANTIGENIC LIGAND GEC-MARCONI LIMITED (GB) 2001-05-01 US disclosed
WO-1995017670-A1 LABELLING GEC-MARCONI LIMITED (GB) 1995-06-29 WO disclosed
EP-0538053-A1 Separation and analysis GEC-MARCONI LIMITED (GB) 1993-04-21 EP 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 (5 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-20150141424-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 KDM4E 2950/4885ALDH1A1 2024/4885HPGD 649/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 KDM4E 2619/4885ALDH1A1 1815/4885HPGD 807/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 KDM4E 2950/4885ALDH1A1 2024/4885HPGD 649/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 KDM4E 2619/4885ALDH1A1 1815/4885HPGD 807/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 KDM4E 2975/4885ALDH1A1 2036/4885HPGD 706/4885

“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.