SCHEMBL3928153

SCHEMBL3928153

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.60
ESR2 Q92731 3/20 0.60
HSD11B1 P28845 1/20 0.49
ALDH1A1 P00352 6/20 0.49
ABCB1 P08183 2/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
EGFR P00533 1/20 0.49
MAPK1 P28482 1/20 0.48
PPARG P37231 1/20 0.48
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
MAOB P27338 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL3932665 0.89 GPR35 (0.55) ESR1ESR2ALDH1A1ABCB1ABCG2
SCHEMBL3925653 0.87 ESR1 (0.46) ESR1ESR2ALDH1A1ABCB1ABCG2
SCHEMBL4001722 0.86 EGFR (0.45) ESR1ESR2ALDH1A1ABCB1ABCG2
SCHEMBL3925648 0.82 HPGD (0.44) ESR1ESR2ALDH1A1MEN1CYP3A4
SCHEMBL5124786 0.81 ALDH1A1 (0.49) ESR1ESR2ALDH1A1ABCB1ABCG2
SCHEMBL6622728 0.80 GPR35 (0.49) ESR1ESR2ALDH1A1MEN1PKM
SCHEMBL10517136 0.80 ALDH1A1 (0.64) HSD11B1ALDH1A1ABCB1ABCG2MEN1
SCHEMBL3923936 0.77 EGFR (0.51) ESR1ESR2ALDH1A1ABCB1ABCG2
SCHEMBL10551657 0.77 NTRK1 (0.57) ALDH1A1ABCB1ABCG2MEN1PKM
SCHEMBL4008387 0.77 EGFR (0.50) ESR1ESR2ALDH1A1ABCB1ABCG2

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 16 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
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 ESR1 1/4885ESR2 2/4885HSD11B1 320/4885
US-20050038107-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, ESRRA ESR1 1/4885ESR2 2/4885HSD11B1 449/4885
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 ESR1 4/4885ESR2 5/4885HSD11B1 84/4885
US-20030171428-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885HSD11B1 450/4885

“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.