SCHEMBL3925865

SCHEMBL3925865

COc1ccc(-c2cc3cc(OC)cc(C(C)(C)O)c3o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.46
NTRK2 Q16620 1/20 0.46
HIF1A Q16665 1/20 0.46
EGFR P00533 1/20 0.45
APP P05067 3/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ABCB1 P08183 3/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A1 P04798 2/20 0.42

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
SCHEMBL13980508 0.89 APP (0.48) NTRK1NTRK2HIF1AEGFRAPP
SCHEMBL3924915 0.83 EGFR (0.42) NTRK1NTRK2HIF1AEGFRAPP
SCHEMBL4008387 0.77 EGFR (0.50) NTRK1NTRK2EGFRAPPESR1
SCHEMBL3927970 0.76 ALDH1A1 (0.48) NTRK1NTRK2EGFRAPPESR1
SCHEMBL3924922 0.76 EGFR (0.43) NTRK1NTRK2HIF1AEGFRAPP
SCHEMBL3924924 0.76 EGFR (0.43) NTRK1NTRK2HIF1AEGFRAPP
SCHEMBL4463948 0.76 ESR2 (0.47) APPESR1ESR2ALDH1A1KDM4E
SCHEMBL3932665 0.75 GPR35 (0.55) NTRK1NTRK2EGFRESR1ESR2
SCHEMBL4001722 0.75 EGFR (0.45) NTRK1NTRK2HIF1AEGFRAPP
SCHEMBL3928153 0.75 ESR1 (0.60) NTRK1NTRK2EGFRAPPESR1

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 17 patents. 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
EP-1458700-B1 SUBSTITUTED 2-PHENYL BENZOFURANS AS ESTROGENIC AGENTS WYETH CORP (US) 2008-12-03 EP disclosed
US-20060074128-A1 Substituted 2-phenyl benzofurans as estrogenic agents WYETH (US) 2006-04-06 US disclosed
US-7022733-B2 Substituted 2-phenyl benzofurans as estrogenic agents WYETH (US) 2006-04-04 US disclosed
US-20050038107-A1 Substituted 2-phenyl benzofurans as estrogenic agents WYETH 2005-02-17 US disclosed
EP-1458700-A2 SUBSTITUTED 2-PHENYL BENZOFURANS AS ESTROGENIC AGENTS Wyeth (US) 2004-09-22 EP disclosed
US-6774248-B2 ANTICANCER AGENTS; ANTICHOLESTEROL AGENTS; COGNITION ACTIVATORS; RHEUMATIC DISEASES WYETH 2004-08-10 US disclosed
US-20030171428-A1 Substituted 2-phenyl benzofurans as estrogenic agents WYETH 2003-09-11 US disclosed
WO-2003051860-A2 SUBSTITUTED 2-PHENYL BENZOFURANS AS ESTROGENIC AGENTS WYETH (US) 2003-06-26 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-20060074128-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, GPER1 NTRK1 1740/4885NTRK2 2189/4885HIF1A 543/4885
US-20050038107-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, ESRRA NTRK1 1484/4885NTRK2 1965/4885HIF1A 659/4885
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 NTRK1 4829/4885NTRK2 2757/4885HIF1A 81/4885
US-20030171428-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, GPER1 NTRK1 1253/4885NTRK2 1844/4885HIF1A 649/4885

“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.