SCHEMBL11519347

SCHEMBL11519347

COC(=O)c1ccc2c(C=O)c(O)ccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 16/20 0.74
LCK P06239 1/20 0.68
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
XDH P47989 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL12767144 0.89 ERN1 (0.80) ERN1LCK
SCHEMBL31060853 0.86 ERN1 (1.00) ERN1CA12CA1CA2CA9
SCHEMBL12767127 0.86 ERN1 (1.00) ERN1CA12CA1CA2CA9
SCHEMBL18904700 0.85 ERN1 (0.56) ERN1LCKCA12CA1CA2
SCHEMBL19967995 0.84 ERN1 (0.69) ERN1LCK
SCHEMBL6288703 0.84 ERN1 (0.55) ERN1LCKCA12CA1CA2
SCHEMBL22750623 0.83 ERN1 (0.62) ERN1ALDH1A1MAPTHPGD
SCHEMBL11660803 0.82 ERN1 (0.58) ERN1
SCHEMBL7590492 0.81 LCK (1.00) ERN1LCKCA12CA1CA2
SCHEMBL7214398 0.81 ERN1 (0.78) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER DIC CORPORATION (JP) 2018-01-25 US disclosed
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER DIC CORPORATION (JP) 2018-01-25 US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 US disclosed
EP-3150589-A1 IRE-1A INHIBITORS MannKind Corporation (US) 2017-04-05 EP disclosed
EP-2155643-B1 IRE-1A INHIBITORS MANNKIND CORP (US) 2016-08-10 EP disclosed
EP-2532643-A1 IRE-1A Inhibitors MannKind Corporation (US) 2012-12-12 EP disclosed
EP-2520561-A1 IRE-1A Inhibitors MannKind Corporation (US) 2012-11-07 EP disclosed
US-20110065162-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2011-03-17 US disclosed
US-7858666-B2 inositol requiring enzyme 1 (IRE-1 alpha) inhibitors such as 2-hydroxy-6-(5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl)-1-naphthaldehyde, relieve protein folding stress by enhancing molecular chaperone activity and protects cells from stress induced apoptosis; autoimmune diseases; anticancer; viricides MANNKIND CORPORATION (US) 2010-12-28 US disclosed
US-20090186893-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2009-07-23 US disclosed
US-4150046-A ORGANIC PIGMENTS HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-17 US disclosed
US-4113759-A PIGMENTS FOR PAINTS, LACQUERS, INKS, PLASTICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-12 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 (3 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-20170152206-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885LCK 4310/4885CA12 4808/4885
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER SMC4, MAP1LC3C, ZW10 ERN1 2084/4885LCK 4626/4885CA12 2114/4885
US-20090186893-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885LCK 4310/4885CA12 4808/4885

“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.