SCHEMBL14925318

SCHEMBL14925318

CCOC(=O)CCc1c(C)c2c(OC)cc(O)cc2oc1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.64
ALDH1A1 P00352 11/20 0.64
HSD17B10 Q99714 10/20 0.64
HPGD P15428 9/20 0.64
GAA P10253 4/20 0.64
CASP1 P29466 4/20 0.64
CASP7 P55210 4/20 0.64
GLA P06280 2/20 0.64
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.48
TSHR P16473 3/20 0.45
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.43
TP53 P04637 2/20 0.43
HSD17B3 P37058 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL14925309 0.88 KDM4E (0.76) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL14925299 0.88 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL14930143 0.87 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL3274825 0.87 KDM4E (0.78) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL10926004 0.80 KDM4E (0.65) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL14925308 0.80 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL14930226 0.80 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL14930177 0.80 KDM4E (0.67) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL1745586 0.79 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL14685985 0.78 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-10357475-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-07-23 US disclosed
US-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 US disclosed
US-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 US disclosed
US-20170326104-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-11-16 US disclosed
US-20170326104-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-11-16 US disclosed
US-9693992-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-07-04 US disclosed
US-9693992-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-07-04 US disclosed
US-9040714-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2015-05-26 US disclosed
US-9040714-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2015-05-26 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 2024/4885HSD17B10 2046/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 KDM4E 2950/4885ALDH1A1 2024/4885HSD17B10 2046/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 KDM4E 2619/4885ALDH1A1 1815/4885HSD17B10 2082/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 KDM4E 2950/4885ALDH1A1 2024/4885HSD17B10 2046/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 KDM4E 2619/4885ALDH1A1 1815/4885HSD17B10 2082/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 KDM4E 2975/4885ALDH1A1 2036/4885HSD17B10 2092/4885

“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.