SCHEMBL14925233

SCHEMBL14925233

O=Cc1c(O)ccc2oc(=O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.51
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 6/20 0.43
MGAM O43451 3/20 0.43
SI P14410 3/20 0.43
MGAM2 Q2M2H8 3/20 0.43
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
MCL1 Q07820 4/20 0.42
HPGD P15428 4/20 0.42
GLA P06280 3/20 0.42
AKR1B1 P15121 3/20 0.42
CASP1 P29466 3/20 0.42
CASP7 P55210 3/20 0.42
HSD17B10 Q99714 3/20 0.42
ERAP1 Q9NZ08 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 2/20 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
SCHEMBL30388804 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AGAAMGAM
SCHEMBL6783654 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AGAAMGAM
SCHEMBL31236213 0.76 ERN1 (0.61) ERN1
SCHEMBL3860557 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AGAAMGAM
SCHEMBL29951410 0.74 ERN1 (0.47) ERN1ALDH1A1KDM4EKMT2AHPGD
SCHEMBL6194067 0.74 ERN1 (0.47) ERN1ALDH1A1KDM4EKMT2AHPGD
SCHEMBL16904152 0.74 MAOB (0.50) ALDH1A1KDM4EGAACA12CA9
SCHEMBL10489008 0.73 MCL1 (0.61) ERN1ALDH1A1KDM4EKMT2AGAA
SCHEMBL29456620 0.73 MCL1 (0.61) ERN1ALDH1A1KDM4EKMT2AGAA
SCHEMBL2547939 0.71 CSNK2A1 (0.54) ERN1ALDH1A1KDM4EKMT2AGAA

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 16 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
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 ERN1 1/4885ALDH1A1 2024/4885KDM4E 2950/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 ERN1 1/4885ALDH1A1 2024/4885KDM4E 2950/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ERN1 2/4885ALDH1A1 1815/4885KDM4E 2619/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 ERN1 1/4885ALDH1A1 2024/4885KDM4E 2950/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ERN1 2/4885ALDH1A1 1815/4885KDM4E 2619/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 ERN1 1/4885ALDH1A1 2036/4885KDM4E 2975/4885

“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.