SCHEMBL4448303

SCHEMBL4448303

COc1ccc(-c2cc3cc(C(C)(C)C)ccc3o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.61
▸ MAPT P10636 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NFKB1 P19838 2/20 0.50
▸ NFKB2 Q00653 2/20 0.50
▸ RELA Q04206 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ THRB P10828 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ MAOB P27338 4/20 0.49
▸ EGFR P00533 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
SCHEMBL3927773 0.87 APP (0.59) APPMAPTNPC1RAB9AKDM4E
SCHEMBL14833013 0.84 APP (0.82) APPMAPTNPC1RAB9AKDM4E
SCHEMBL29873198 0.84 APP (0.82) APPMAPTNPC1RAB9AKDM4E
SCHEMBL16011199 0.84 APP (0.55) APPMAPTNPC1RAB9AKDM4E
SCHEMBL3925092 0.82 ESR1 (0.68) APPMAPTNPC1RAB9AHPGD
SCHEMBL3980356 0.81 MAOB (0.63) APPMAPTKDM4EALDH1A1HPGD
SCHEMBL11731936 0.81 APP (0.44) APPNPC1RAB9AHIF1AMAOB
SCHEMBL11733647 0.80 MAOB (0.67) APPMAPTNPC1RAB9AKDM4E
SCHEMBL4234002 0.79 APP (0.60) APPMAPTNPC1RAB9AKDM4E
SCHEMBL14840839 0.79 HIF1A (0.49) APPMAPTNPC1RAB9AHPGD

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 APP 4326/4885MAPT 3646/4885NPC1 2605/4885
US-20050038107-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, ESRRA APP 4311/4885MAPT 3572/4885NPC1 3092/4885
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 APP 711/4885MAPT 1621/4885NPC1 1542/4885
US-20030171428-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, GPER1 APP 4256/4885MAPT 3445/4885NPC1 2824/4885

“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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