SCHEMBL3928147

SCHEMBL3928147

COc1cc(I)c(O)c(C=O)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 17/20 0.58
TRIM24 O15164 1/20 0.49
TYR P14679 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
ALDH1A1 P00352 1/20 0.42
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL7285302 0.86 ERN1 (0.62) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL28292328 0.81 ERN1 (0.61) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL3645435 0.81 ERN1 (0.61) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL28282933 0.81 ERN1 (0.56) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL13855640 0.79 ERN1 (0.55) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL118908 0.79 ERN1 (0.68) ERN1ALDH1A1LMNAMAPT
SCHEMBL931983 0.79 ERN1 (0.60) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL13980464 0.78 ERN1 (0.53) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL4376307 0.78 ERN1 (0.58) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL5647002 0.77 ERN1 (0.53) ERN1

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 35 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
EP-1996145-A2 REDUCTIVE COLOUR REMOVAL Henkel AG & Co. KGaA (DE) 2008-12-03 EP claimed
EP-1888018-A1 AGENTS FOR DYEING KERATIN-BASED FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2008-02-20 EP claimed
EP-1879660-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP claimed
EP-1838279-A1 AGENTS FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-10-03 EP claimed
WO-2007107310-A2 REDUCTIVE COLOUR REMOVAL HENKEL AG & CO. KGAA (DE) 2007-09-27 WO claimed
EP-1789007-A1 PRODUCTS FOR DYEING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-30 EP claimed
WO-2006119819-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-11-16 WO claimed
WO-2006119818-A1 AGENTS FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-11-16 WO claimed
WO-2006077039-A1 AGENTS FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-07-27 WO claimed
WO-2006029672-A1 PRODUCTS FOR DYEING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-03-23 WO 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
US-9770432-B2 Deuterated benzopyran compounds and the use in the treatment of pain and inflammation GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2017-09-26 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 (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 ERN1 1373/4885TRIM24 3008/4885TYR 2670/4885
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 ERN1 3514/4885TRIM24 3299/4885TYR 363/4885
US-20030171428-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, GPER1 ERN1 1313/4885TRIM24 2982/4885TYR 2588/4885

“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.