SCHEMBL3584796

SCHEMBL3584796

COCOc1ccc2oc(=O)ccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.69
CA12 O43570 11/20 0.62
CA9 Q16790 11/20 0.62
CA1 P00915 8/20 0.62
CA4 P22748 5/20 0.62
CA6 P23280 4/20 0.56
CA7 P43166 4/20 0.56
CA14 Q9ULX7 4/20 0.56
CA5B Q9Y2D0 3/20 0.56
CA5A P35218 3/20 0.56
CYP1A2 P05177 1/20 0.56
CA2 P00918 2/20 0.54
CA3 P07451 2/20 0.54
ALOX15 P16050 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
AKR1B1 P15121 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NPC1 O15118 1/20 0.52

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
SCHEMBL2984644 0.89 CA12 (0.71) CA12CA9CA1CA4CA6
SCHEMBL11036182 0.84 CA9 (0.79) CYP2A6CA12CA9CA1CA4
SCHEMBL1108372 0.82 CYP2A6 (1.00) CYP2A6CA12CA9CA1CA4
SCHEMBL27950165 0.81 CA9 (0.80) CYP2A6CA12CA9CA1CA4
SCHEMBL13073997 0.81 CA9 (0.80) CYP2A6CA12CA9CA1CA4
SCHEMBL14634127 0.81 CA12 (0.66) CYP2A6CA12CA9CA1CA4
SCHEMBL19147577 0.81 MCL1 (0.67) CYP2A6CA12CA9CA1CA4
SCHEMBL28315405 0.81 CA12 (0.66) CYP2A6CA12CA9CA1CA4
SCHEMBL14802631 0.80 CYP2A6 (0.62) CYP2A6CA12CA9CA1CA4
SCHEMBL12283954 0.79 CA9 (0.67) CYP2A6CA12CA9CA1CA4

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 21 patents — showing the first 20. 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-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-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-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
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-20070106082-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1626974-A2 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2006-02-22 EP disclosed
WO-2004094400-A2 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 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-20070106082-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists MCHR1, MCHR2, MC1R CYP2A6 475/4885CA12 4278/4885CA9 4007/4885
US-20090298925-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS GPER1, ESR2, ESR1 CYP2A6 480/4885CA12 4151/4885CA9 3586/4885
US-20080312312-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS GPER1, ESR2, ESR1 CYP2A6 480/4885CA12 4151/4885CA9 3586/4885

“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.