SCHEMBL12674875

SCHEMBL12674875

O=Cc1c(O)ccc2cc(/C=C/C(=O)N3CCOCC3)ccc12

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.61
TRPV1 Q8NER1 1/20 0.60
RAB9A P51151 7/20 0.56
NPC1 O15118 6/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MAOB P27338 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
ITGB2 P05107 3/20 0.48
ICAM1 P05362 3/20 0.48
ITGAL P20701 3/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL12675813 0.89 RAB9A (0.54) ERN1TRPV1RAB9ANPC1TDP1
SCHEMBL12675425 0.86 ERN1 (0.58) ERN1TRPV1ALDH1A1HPGDKDM4E
SCHEMBL20866524 0.81 TRPV1 (0.72) TRPV1RAB9ANPC1TDP1ALDH1A1
SCHEMBL2484738 0.81 TRPV1 (0.72) TRPV1RAB9ANPC1TDP1ALDH1A1
SCHEMBL12675179 0.79 KDM4E (0.57) ERN1TDP1ALDH1A1HPGDKDM4E
SCHEMBL31428532 0.77 RAB9A (0.56) TRPV1RAB9ANPC1TDP1ALDH1A1
SCHEMBL13551939 0.76 ALDH1A1 (0.59) ERN1ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL12767178 0.76 ERN1 (1.00) ERN1
SCHEMBL9656530 0.75 TRPV1 (0.64) TRPV1RAB9ANPC1TDP1ALDH1A1
SCHEMBL9656533 0.75 TRPV1 (0.64) TRPV1RAB9ANPC1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496230-B1 IRE-1 ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-02-26 EP disclosed
US-20180072745-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-03-15 US disclosed
US-20180072745-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-03-15 US disclosed
US-9856266-B2 IRE-1alpha inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-02 US disclosed
US-20170166576-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-15 US disclosed
US-20170166576-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-15 US disclosed
US-9493435-B2 IRE-1α inhibitors MANNKING CORPORATION (US) 2016-11-15 US disclosed
US-9493435-B2 IRE-1α inhibitors MANNKING CORPORATION (US) 2016-11-15 US disclosed
US-20120270877-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2012-10-25 US disclosed
US-20120270877-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2012-10-25 US disclosed
WO-2011056744-A1 IRE-1 α INHIBITORS MANNKIND CORPORATION (US) 2011-05-12 WO 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-20180072745-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 ERN1 2/4885TRPV1 2105/4885RAB9A 1402/4885
US-20120270877-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 ERN1 2/4885TRPV1 2105/4885RAB9A 1402/4885
US-20170166576-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 ERN1 2/4885TRPV1 2105/4885RAB9A 1402/4885

“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.