SCHEMBL3927720

SCHEMBL3927720

COc1cc(Br)c(OC)c(CO)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ HTR2A P28223 1/20 0.43
▸ CA2 P00918 3/20 0.42
▸ CA4 P22748 3/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ TSHR P16473 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TPMT P51580 1/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37

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
SCHEMBL3692216 0.87 MAPT (0.52) MAPTCYP1A2FNTAFNTBPDE4A
SCHEMBL6410058 0.84 HSD17B10 (0.50) MAPTCA2CA4CA1CA6
SCHEMBL10728946 0.82 CYP1A2 (0.50) MAPTHTR2ACYP1A2FNTAFNTB
SCHEMBL7131334 0.81 ALDH1A1 (0.43) MAPTCA2CA4CYP1A2FNTA
SCHEMBL4932262 0.81 KMT2A (0.46) MAPTCA2CA4CYP1A2CA1
SCHEMBL8797591 0.80 ALOX5 (0.47) MAPTCA2CYP1A2FNTAFNTB
SCHEMBL643649 0.80 CYP1A2 (0.62) MAPTCYP1A2FNTAFNTBPDE4A
SCHEMBL30679916 0.80 ALOX5 (0.47) MAPTCA2CYP1A2FNTAFNTB
SCHEMBL10734341 0.80 MAPT (0.46) MAPTCYP1A2FNTAFNTBPDE4A
SCHEMBL3936459 0.80 HTR2A (0.43) HTR2ACA2CA4CYP1A2CA1

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 22 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
CN-1606551-A Substituted 2-phenyl benzofurans as estrogenic agents WYETH CORP (US) 2005-04-13 — — CN 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
CN-1993343-A Tetracyclic compounds as estrogen ligands WYETH CORP (US) 2007-07-04 — — CN disclosed
US-7022733-B2 Substituted 2-phenyl benzofurans as estrogenic agents WYETH (US) 2006-04-04 — — US disclosed
CN-1606551-A Substituted 2-phenyl benzofurans as estrogenic agents WYETH CORP (US) 2005-04-13 — — CN 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
EP-0883599-B1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ASTRAZENECA AB (SE) 2002-06-05 — — EP disclosed
EP-0883599-A1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ZENECA LIMITED (GB) 1998-12-16 — — EP disclosed
US-5807897-A MUSCULAR DISORDERS ZENECA LIMITED (GB) 1998-09-15 — — US disclosed
WO-1997031887-A1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ZENECA LIMITED (GB) 1997-09-04 — — 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 (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-20050038107-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, ESRRA MAPT 3572/4885HTR2A 341/4885CA2 1186/4885
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 MAPT 1621/4885HTR2A 1006/4885CA2 1246/4885
US-20030171428-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, GPER1 MAPT 3445/4885HTR2A 341/4885CA2 1368/4885

“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.

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