SCHEMBL3589538

SCHEMBL3589538

CCOC(=O)c1cc2cc(OCc3ccccc3)ccc2oc1=O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.84
MAOA P21397 2/20 0.65
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
HSP90AA1 P07900 1/20 0.63
CA12 O43570 3/20 0.63
CA2 P00918 3/20 0.63
CA4 P22748 3/20 0.63
CA7 P43166 3/20 0.63
CA5B Q9Y2D0 2/20 0.63
CA3 P07451 2/20 0.63
CA6 P23280 2/20 0.63
CA9 Q16790 2/20 0.63
CA14 Q9ULX7 2/20 0.63
CA1 P00915 1/20 0.63
CA5A P35218 1/20 0.63
SLC16A3 O15427 1/20 0.61
KDM4E B2RXH2 4/20 0.58
HSD17B10 Q99714 3/20 0.58
ALDH1A1 P00352 3/20 0.58

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
SCHEMBL22148003 0.91 MAOB (1.00) MAOBMAOAKMT2ACA12CA2
SCHEMBL3618447 0.86 MAOB (0.62) MAOBKMT2AMEN1HSP90AA1KDM4E
SCHEMBL28374375 0.86 SLC16A3 (0.81) MAOBMAOACA12CA2CA4
SCHEMBL13073986 0.84 MAOB (0.76) MAOBMAOACA12CA2CA4
SCHEMBL27701220 0.83 CA12 (0.74) MAOBMAOAKMT2ACA12CA2
SCHEMBL93300 0.83 MAOB (0.85) MAOBMAOACA12CA2CA4
SCHEMBL2031783 0.82 MAOB (1.00) MAOBMAOAKMT2ACA12CA2
SCHEMBL6415713 0.82 MAOB (0.76) MAOBMAOACA12CA2CA4
SCHEMBL93418 0.80 MAOB (0.80) MAOBMAOASLC16A3
SCHEMBL6417829 0.80 MAOB (1.00) MAOBMAOACA12CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842822-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2010-11-30 US disclosed
US-7842822-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2010-11-30 US disclosed
US-20090298925-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS DURST GREGORY LEE 2009-12-03 US disclosed
US-20090298925-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS DURST GREGORY LEE 2009-12-03 US disclosed
US-7585985-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
US-7585985-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
US-20080312312-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS DURST GREGORY LEE 2008-12-18 US disclosed
US-20080312312-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS DURST GREGORY LEE 2008-12-18 US disclosed
US-7442812-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2008-10-28 US disclosed
US-7442812-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2008-10-28 US disclosed
EP-1626974-B1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS LILLY CO ELI (US) 2008-08-27 EP disclosed
US-20070106082-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106082-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20060194871-A1 Heterocyclic mchr1 antagoists SMITHKLINE BEECHAM CORPORATION 2006-08-31 US disclosed
EP-1626974-A2 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2006-02-22 EP disclosed
EP-1618112-A1 HETEROCYCLIC MCHR1 ANTAGONISTS SmithKline Beecham Corporation (US) 2006-01-25 EP disclosed
WO-2004094400-A2 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 WO disclosed
WO-2004092181-A1 HETEROCYCLIC MCHR1 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-10-28 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 (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-20070106082-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists MCHR1, MCHR2, MC1R MAOB 344/4885MAOA 415/4885KMT2A 2161/4885
US-20090298925-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS GPER1, ESR2, ESR1 MAOB 1407/4885MAOA 1543/4885KMT2A 3905/4885
US-20080312312-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS GPER1, ESR2, ESR1 MAOB 1407/4885MAOA 1543/4885KMT2A 3905/4885
US-20060194871-A1 Heterocyclic mchr1 antagoists MCHR1, MCHR2, MC1R MAOB 238/4885MAOA 200/4885KMT2A 1438/4885

“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.