SCHEMBL6417829

SCHEMBL6417829

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 1.00
MAOA P21397 4/20 1.00
MIF P14174 2/20 0.80
PFKFB3 Q16875 1/20 0.80
CA12 O43570 2/20 0.72
CA2 P00918 2/20 0.72
CA3 P07451 2/20 0.72
CA4 P22748 2/20 0.72
CA6 P23280 2/20 0.72
CA7 P43166 2/20 0.72
CA9 Q16790 2/20 0.72
CA14 Q9ULX7 2/20 0.72
CA5B Q9Y2D0 1/20 0.72
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 5/20 0.61
GLA P06280 3/20 0.61
GAA P10253 3/20 0.61
HPGD P15428 2/20 0.61
HSD17B10 Q99714 2/20 0.59
TSHR P16473 1/20 0.59

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
SCHEMBL1406240 0.89 MIF (1.00) MAOBMAOAMIFPFKFB3CA12
SCHEMBL29399552 0.89 MIF (1.00) MAOBMAOAMIFPFKFB3CA12
SCHEMBL30595106 0.87 MAOB (0.78) MAOBMAOAMIFPFKFB3CA12
SCHEMBL11486663 0.87 MAOB (0.78) MAOBMAOAMIFPFKFB3CA12
SCHEMBL18752370 0.86 CA12 (0.85) MAOBMAOAMIFPFKFB3CA12
SCHEMBL25207493 0.85 MAOB (0.74) MAOBMAOAMIFPFKFB3CA12
SCHEMBL11485550 0.85 MAOB (0.74) MAOBMAOAMIFPFKFB3CA12
SCHEMBL11484256 0.85 MAOB (0.74) MAOBMAOAMIFPFKFB3CA12
SCHEMBL25213073 0.85 MAOB (0.74) MAOBMAOAMIFPFKFB3CA12
SCHEMBL11484361 0.85 MAOB (0.74) MAOBMAOAMIFPFKFB3CA12

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-9492418-B2 Inhibitors of PFKFB3 for cancer therapy BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2016-11-15 US disclosed
US-9492418-B2 Inhibitors of PFKFB3 for cancer therapy BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2016-11-15 US disclosed
US-20120302631-A1 Inhibitors of PFKFB3 for Cancer Therapy BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2012-11-29 US disclosed
US-20120302631-A1 Inhibitors of PFKFB3 for Cancer Therapy BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2012-11-29 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-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-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
WO-2005118584-A2 SAFRAMYCIN ANALOGS AS THERAPEUTIC AGENTS IN THE TREATMENT OF CANCER AXYS PHARMACEUTICALS, INC. (US) 2005-12-15 WO disclosed
EP-0123543-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION AND USE AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1988-02-03 EP disclosed
US-4609744-A 4-oxo-benzopyran carboxylic acids MERCK FROSST CANADA INC. (CA) 1986-09-02 US disclosed
EP-0123543-A1 Leukotriene antagonists, their production and use and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-10-31 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 (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 415/4885MIF 1620/4885
US-20090298925-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS GPER1, ESR2, ESR1 MAOB 1407/4885MAOA 1543/4885MIF 3956/4885
US-20120302631-A1 Inhibitors of PFKFB3 for Cancer Therapy PFKFB3, PFKFB2, PFKFB1 MAOB 2055/4885MAOA 3633/4885MIF 4491/4885
US-20080312312-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS GPER1, ESR2, ESR1 MAOB 1407/4885MAOA 1543/4885MIF 3956/4885

“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.