SCHEMBL13073997

SCHEMBL13073997

CCCCOc1ccc2oc(=O)ccc2c1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 11/20 0.80
CA12 O43570 10/20 0.80
CA1 P00915 7/20 0.80
CA4 P22748 4/20 0.80
CA6 P23280 3/20 0.80
CA7 P43166 3/20 0.80
CA14 Q9ULX7 3/20 0.80
CA5B Q9Y2D0 3/20 0.80
CA2 P00918 2/20 0.80
CA3 P07451 1/20 0.80
CA5A P35218 2/20 0.70
CYP2A6 P11509 1/20 0.64
CYP1A2 P05177 1/20 0.60
MAOA P21397 4/20 0.56
MAOB P27338 4/20 0.56
ALOX15 P16050 2/20 0.53
MTNR1A P48039 1/20 0.52
ALDH1A1 P00352 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
SCHEMBL14802544 0.97 CA9 (0.76) CA9CA12CA1CA4CA6
SCHEMBL14802620 0.96 CA9 (0.74) CA9CA12CA1CA4CA6
SCHEMBL27950165 0.94 CA9 (0.80) CA9CA12CA1CA4CA6
7-Butoxycoumarin SCHEMBL6686295 0.89 CA12 (1.00) CA9CA12CA1CA4CA6
SCHEMBL11036182 0.87 CA9 (0.79) CA9CA12CA1CA4CA6
SCHEMBL29772322 0.86 CA12 (0.68) CA9CA12CA1CA4CA6
SCHEMBL14634620 0.86 CA12 (0.68) CA9CA12CA1CA4CA6
SCHEMBL14329518 0.86 CA12 (0.94) CA9CA12CA1CA4CA6
SCHEMBL15591954 0.85 CA12 (0.91) CA9CA12CA1CA4CA6
SCHEMBL14329530 0.85 CA12 (0.91) CA9CA12CA1CA4CA6

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 7 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-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-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
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

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 CA9 4007/4885CA12 4278/4885CA1 4627/4885
US-20090298925-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS GPER1, ESR2, ESR1 CA9 3586/4885CA12 4151/4885CA1 4610/4885
US-20080312312-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS GPER1, ESR2, ESR1 CA9 3586/4885CA12 4151/4885CA1 4610/4885

“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.