SCHEMBL1887600

SCHEMBL1887600

CCOC(=O)c1cc2c(C)c(Br)ccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.56
AKR1B1 P15121 1/20 0.51
HIF1A Q16665 3/20 0.47
ALOX5 P09917 2/20 0.46
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 3/20 0.45
AHR P35869 1/20 0.45
SLC2A1 P11166 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43

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
SCHEMBL20065157 0.86 MAOB (0.54) MAOBAKR1B1ALOX5MAPK1KDM4E
SCHEMBL23953642 0.84 MAOB (0.52) MAOBAKR1B1HIF1AALOX5MAPK1
SCHEMBL28372755 0.83 MAOB (0.56) MAOBAKR1B1ALOX5MAPK1KDM4E
SCHEMBL8440469 0.83 MAOB (0.53) MAOBAKR1B1HIF1AALOX5KDM4E
SCHEMBL31215466 0.82 MAOB (0.55) MAOBAKR1B1ALOX5MAPK1KDM4E
SCHEMBL28368123 0.81 MAOB (0.57) MAOBAKR1B1ALOX5MAPK1KDM4E
SCHEMBL1390660 0.80 KDM4E (0.57) KDM4EALDH1A1LMNAMEN1HPGD
SCHEMBL28367944 0.78 MAOB (0.58) MAOBAKR1B1MAPK1KDM4EAHR
SCHEMBL8122629 0.78 MAOB (0.72) MAOBAKR1B1HIF1AALOX5MAPK1
SCHEMBL27185752 0.77 AKR1B1 (0.45) MAOBAKR1B1ALOX5MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109265471-B FXR receptor agonists 轩竹生物科技有限公司 2021-06-04 CN disclosed
EP-2262785-B1 BENZOFURANE DERIVATIVES AS FXR MODULATORS MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
EP-2262785-B1 BENZOFURANE DERIVATIVES AS FXR MODULATORS MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
US-8575161-B2 Benzofurane, benzothiophene, benzothiazol derivatives as FXR modulators MERCK PATENT GMBH (DE) 2013-11-05 US disclosed
US-8575161-B2 Benzofurane, benzothiophene, benzothiazol derivatives as FXR modulators MERCK PATENT GMBH (DE) 2013-11-05 US disclosed
CN-101990535-B Benzofurane, benzothiophene, benzothiazol derivatives as fxr modulators MERCK PATENT GMBH 2013-06-19 CN disclosed
US-20110105475-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS MERXCK PATENT GESELLSCHAFT (DE) 2011-05-05 US disclosed
US-20110105475-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS MERXCK PATENT GESELLSCHAFT (DE) 2011-05-05 US disclosed
CN-101990535-A Benzofurane, benzothiophene, benzothiazol derivatives as fxr modulators MERCK PATENT GMBH 2011-03-23 CN disclosed
EP-2262785-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS Merck Patent GmbH (DE) 2010-12-22 EP disclosed
WO-2009127321-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS MERCK PATENT GMBH, (DE) 2009-10-22 WO disclosed
WO-2009127321-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS MERCK PATENT GMBH, (DE) 2009-10-22 WO disclosed
EP-2110374-A1 Benzofurane, benzothiophene, benzothiazol derivatives as FXR modulators Merck Sante (FR) 2009-10-21 EP disclosed
EP-2110374-A1 Benzofurane, benzothiophene, benzothiazol derivatives as FXR modulators Merck Sante (FR) 2009-10-21 EP 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 (1 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-20110105475-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS FXR1, FXR2, NR1H4 MAOB 1375/4885AKR1B1 749/4885HIF1A 3008/4885

“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.