SCHEMBL12766729

SCHEMBL12766729

Cc1c(C=O)c(O)c(C)c2occc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ NUAK1 O60285 1/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ MET P08581 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ AXL P30530 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ NEK2 P51955 1/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ PKN1 Q16512 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL19073223 0.72 KDM4E (0.36) KCNA3KDM4EMAPK1LMNACYP1A1
SCHEMBL12766723 0.71 MCL1 (0.38) ERN1HDAC3NUAK1IGF1RMET
SCHEMBL11000514 0.69 MAPT (0.40) KCNA3MAPK1LMNAPADI4ALDH1A1
SCHEMBL9798800 0.69 MAPT (0.39) KCNA3KDM4EMAPK1LMNACYP1A1
SCHEMBL9798793 0.69 MAPT (0.39) KCNA3KDM4EMAPK1LMNACYP1A1
SCHEMBL15447924 0.68 KDM4E (0.33) KCNA3KDM4EMAPK1LMNACYP1A1
SCHEMBL10921321 0.67 KCNA3 (0.43) KCNA3MAPK1LMNAALDH1A1MAPT
SCHEMBL12766724 0.67 CYP3A4 (0.37) ERN1HDAC3NUAK1IGF1RMET
SCHEMBL21929661 0.66 MAOB (0.44) ERN1HDAC3NUAK1IGF1RMET
SCHEMBL11953498 0.66 MAOB (0.44) ERN1HDAC3NUAK1IGF1RMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981901-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-05-29 — — US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 — — US disclosed
US-9546149-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-01-17 — — US disclosed
US-20160168116-A1 IRE-1alpha Inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2016-06-16 — — US disclosed
US-9241942-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2016-01-26 — — US disclosed
US-20140080832-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 — — US 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

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

For each of this compound's patents that has machine-readable text (4 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 3/4885HDAC3 1564/4885NUAK1 2518/4885
US-20160168116-A1 IRE-1alpha Inhibitors XBP1, DDIT3, ERN1 ERN1 3/4885HDAC3 1564/4885NUAK1 2518/4885
US-20140080832-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885HDAC3 1564/4885NUAK1 2518/4885
US-20090186893-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885HDAC3 1564/4885NUAK1 2518/4885

“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.

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