SCHEMBL3592957

SCHEMBL3592957

O=c1ccc2cc(OCc3ccccc3)ccc2o1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.81
NPC1 O15118 4/20 0.81
CA12 O43570 3/20 0.81
CA9 Q16790 3/20 0.81
MAOA P21397 3/20 0.81
CA1 P00915 2/20 0.81
CA4 P22748 2/20 0.81
MEN1 O00255 1/20 0.81
CA2 P00918 1/20 0.81
CA3 P07451 1/20 0.81
CA6 P23280 1/20 0.81
CA7 P43166 1/20 0.81
MTNR1A P48039 1/20 0.81
KMT2A Q03164 1/20 0.81
CA14 Q9ULX7 1/20 0.81
BCHE P06276 1/20 0.65
ACHE P22303 1/20 0.65
PKM P14618 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ALOX5 P09917 1/20 0.61

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
7-Benzyloxycoumarin SCHEMBL3901170 0.90 MAOB (1.00) MAOBNPC1CA12CA9MAOA
7-Benzyloxycoumarin SCHEMBL29365449 0.90 MAOB (1.00) MAOBNPC1CA12CA9MAOA
SCHEMBL15842520 0.78 CYP2A6 (0.63) MAOBNPC1CA12CA9MAOA
SCHEMBL11036182 0.78 CA9 (0.79) CA12CA9CA1CA4CA2
SCHEMBL14634127 0.78 CA12 (0.66) CA12CA9CA1CA4CA2
SCHEMBL28315405 0.78 CA12 (0.66) MAOBNPC1CA12CA9MAOA
SCHEMBL4519057 0.78 PIM1 (0.58) MAOBNPC1CA12CA9MAOA
SCHEMBL28322778 0.78 KDM4E (0.83) MAOBNPC1CA12CA9MAOA
SCHEMBL5338193 0.78 MAOB (0.61) MAOBNPC1CA12CA9MAOA
SCHEMBL12284080 0.78 CA12 (0.61) CA12CA9CA1CA4CA6

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 20 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
CN-100374444-C Substituted benzopyran compounds as selective beta-estrogen receptor agonists YILE LILY CO LTD (US) 2008-03-12 CN 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
CN-1777614-A Substituted benzopyran compounds as selective beta-estrogen receptor agonists LILLY CO ELI (US) 2006-05-24 CN 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 344/4885NPC1 618/4885CA12 4278/4885
US-20090298925-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS GPER1, ESR2, ESR1 MAOB 1407/4885NPC1 2323/4885CA12 4151/4885
US-20080312312-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS GPER1, ESR2, ESR1 MAOB 1407/4885NPC1 2323/4885CA12 4151/4885
US-20060194871-A1 Heterocyclic mchr1 antagoists MCHR1, MCHR2, MC1R MAOB 238/4885NPC1 723/4885CA12 3291/4885

“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.