SCHEMBL2096058

SCHEMBL2096058

Oc1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
PTGS1 P23219 1/20 0.61
SLC6A2 P23975 1/20 0.61
CYP2C19 P33261 1/20 0.61
PTGS2 P35354 1/20 0.61
SLC6A3 Q01959 1/20 0.61
HIF1A Q16665 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
MAOB P27338 8/20 0.58
ALOX5 P09917 1/20 0.58
MAOA P21397 2/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MCL1 Q07820 1/20 0.54
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51

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
SCHEMBL10822115 0.90 MAOB (0.52) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1550410 0.88 MAOB (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8163340 0.88 MAOB (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6628880 0.88 LMNA (0.51) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4360094 0.87 LMNA (0.63) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8599201 0.87 LMNA (0.68) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6700367 0.85 LMNA (0.55) LMNACYP1A2PTGS1SLC6A2CYP2C19
Phosphine SCHEMBL24869952 0.84 MAOB (0.54) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2352357 0.84 MAOB (0.57) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL13412635 0.83 ALOX5 (0.63) LMNACYP1A2PTGS1SLC6A2CYP2C19

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP claimed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO claimed
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
EP-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 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-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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
US-6211234-B1 BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID RHONE-POULENC RORER LIMITED (GB) 2001-04-03 US disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP disclosed
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO disclosed
US-4064179-A CHEMICAL INTERMEDIATES GENERAL ELECTRIC COMPANY (US) 1977-12-20 US disclosed
US-3952063-A Process for the preparation of an organomercaptophenol from sulfur, a phenol, and an activated olefin or an epoxy compound GENERAL ELECTRIC COMPANY (US) 1976-04-20 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-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 LMNA 2261/4885CYP1A2 2785/4885PTGS1 1185/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 LMNA 2296/4885CYP1A2 2509/4885PTGS1 1083/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 LMNA 2261/4885CYP1A2 2785/4885PTGS1 1185/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 LMNA 2296/4885CYP1A2 2509/4885PTGS1 1083/4885

“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.