SCHEMBL3923822

SCHEMBL3923822

COc1ccc(-c2cc3cc(Cl)ccc3o2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.66
KCNA5 P22460 2/20 0.66
KCNH2 Q12809 2/20 0.66
CA1 P00915 2/20 0.66
CA2 P00918 2/20 0.66
GABRP O00591 2/20 0.66
GABRD O14764 2/20 0.66
GABRA1 P14867 2/20 0.66
GABRB1 P18505 2/20 0.66
GABRG2 P18507 2/20 0.66
GABRB3 P28472 2/20 0.66
GABRA5 P31644 2/20 0.66
GABRA3 P34903 2/20 0.66
GABRA2 P47869 2/20 0.66
GABRB2 P47870 2/20 0.66
GABRA4 P48169 2/20 0.66
GABRE P78334 2/20 0.66
GABRA6 Q16445 2/20 0.66
GABRG1 Q8N1C3 2/20 0.66
GABRG3 Q99928 2/20 0.66

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
SCHEMBL6581929 0.90 APP (0.63) MAOBKCNA5KCNH2CA1CA2
SCHEMBL11733704 0.88 KCNA5 (0.62) MAOBKCNA5KCNH2CA1CA2
SCHEMBL14833013 0.87 APP (0.82) MAOBKCNA5KCNH2APPNPC1
SCHEMBL29873198 0.87 APP (0.82) MAOBKCNA5KCNH2APPNPC1
SCHEMBL11733647 0.83 MAOB (0.67) MAOBKCNA5KCNH2APPNPC1
SCHEMBL11646027 0.82 MAOB (0.61) MAOBKCNA5KCNH2CA1CA2
SCHEMBL1143874 0.81 GABRP (0.66) MAOBKCNA5KCNH2GABRPGABRD
SCHEMBL4235410 0.81 ESR1 (0.73) MAOBKCNA5KCNH2APPNPC1
SCHEMBL13672844 0.81 APP (0.64) MAOBKCNA5KCNH2GABRPGABRD
SCHEMBL3922788 0.81 APP (0.64) MAOBKCNA5KCNH2GABRPGABRD

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009009417-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-15 WO claimed
US-20090010884-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-08 US claimed
US-20050038107-A1 Substituted 2-phenyl benzofurans as estrogenic agents WYETH 2005-02-17 US claimed
EP-1458700-A2 SUBSTITUTED 2-PHENYL BENZOFURANS AS ESTROGENIC AGENTS Wyeth (US) 2004-09-22 EP claimed
US-20030171428-A1 Substituted 2-phenyl benzofurans as estrogenic agents WYETH 2003-09-11 US claimed
WO-2003051860-A2 SUBSTITUTED 2-PHENYL BENZOFURANS AS ESTROGENIC AGENTS WYETH (US) 2003-06-26 WO claimed
WO-2009009417-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-15 WO disclosed
US-20090010884-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-08 US disclosed
EP-1458700-B1 SUBSTITUTED 2-PHENYL BENZOFURANS AS ESTROGENIC AGENTS WYETH CORP (US) 2008-12-03 EP disclosed
US-7173061-B2 Compounds for imaging alzheimer's disease GE HEALTHCARE LIMITED (GB) 2007-02-06 US disclosed
US-7173061-B2 Compounds for imaging alzheimer's disease GE HEALTHCARE LIMITED (GB) 2007-02-06 US disclosed
US-7173061-B2 Compounds for imaging alzheimer's disease GE HEALTHCARE LIMITED (GB) 2007-02-06 US disclosed
US-20060074128-A1 Substituted 2-phenyl benzofurans as estrogenic agents WYETH (US) 2006-04-06 US disclosed
EP-1266897-A2 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 2002-12-18 EP disclosed
US-6410562-B1 ANTIDIABETIC AGENTS ELI LILLY AND COMPANY 2002-06-25 US disclosed
WO-1999032482-A1 HYPOGLYCEMIC IMIDAZOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 1999-07-01 WO disclosed
EP-0924209-A1 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 1999-06-23 EP disclosed
US-4024273-A Coronary vasodilator and anti-anginal compositions comprising substituted benzofurans and benzothiophenes and methods of producing coronary vasodilation and anti-anginal activity SMITHKLINE CORPORATION (US) 1977-05-17 US disclosed
US-4001426-A HAVING CORONARY VASODILATOR ACTIVITY SMITHKLINE CORPORATION (US) 1977-01-04 US disclosed
US-3947470-A CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS SMITHKLINE CORPORATION (US) 1976-03-30 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 (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-20060074128-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, GPER1 MAOB 2560/4885KCNA5 1000/4885KCNH2 2672/4885
US-20050038107-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, ESRRA MAOB 2275/4885KCNA5 992/4885KCNH2 2576/4885
US-20090010884-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION COL2A1, COL1A1, COL14A1 MAOB 1657/4885KCNA5 4177/4885KCNH2 4367/4885
US-20030171428-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, GPER1 MAOB 2350/4885KCNA5 1061/4885KCNH2 2690/4885

“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.