SCHEMBL12767306

SCHEMBL12767306

COc1ccc(/N=C/c2cc(C)ccc2O)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.64
▸ CA1 P00915 3/20 0.63
▸ CA2 P00918 3/20 0.63
▸ MAPT P10636 5/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.53
▸ GAA P10253 2/20 0.53
▸ S100B P04271 1/20 0.53
▸ HPGD P15428 1/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ACHE P22303 1/20 0.50

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
SCHEMBL992775 0.91 CA1 (0.71) MAOBCA1CA2MAPTKDM4E
SCHEMBL992774 0.91 CA1 (0.71) MAOBCA1CA2MAPTKDM4E
SCHEMBL12416699 0.84 LMNA (0.67) MAOBCA1CA2MAPTKDM4E
SCHEMBL13982287 0.84 CA1 (0.61) MAOBCA1CA2MAPTKDM4E
SCHEMBL994961 0.82 MAOB (0.66) MAOBCA1CA2MAPTKDM4E
SCHEMBL994960 0.82 MAOB (0.66) MAOBCA1CA2MAPTKDM4E
SCHEMBL12767308 0.81 LMNA (0.68) MAOBCA2MAPTKDM4EHTT
SCHEMBL12767304 0.81 MAPT (0.61) MAOBCA1CA2MAPTKDM4E
SCHEMBL22340656 0.81 ACHE (0.53) MAOBCA1CA2MAPTL3MBTL1
SCHEMBL16114890 0.81 CA1 (0.59) MAOBCA1CA2MAPTKDM4E

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 7 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

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 MAOB 4705/4885CA1 3793/4885CA2 3345/4885
US-20160168116-A1 IRE-1alpha Inhibitors XBP1, DDIT3, ERN1 MAOB 4705/4885CA1 3793/4885CA2 3345/4885
US-20140080832-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 MAOB 4705/4885CA1 3793/4885CA2 3345/4885

“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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