SCHEMBL3922756

SCHEMBL3922756

COc1ccc(OC)c(CC(=O)c2ccc(OC)c(F)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.60
HTT P42858 4/20 0.55
RAB9A P51151 3/20 0.55
LMNA P02545 2/20 0.55
MAPK1 P28482 1/20 0.55
NPC1 O15118 3/20 0.51
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ADRA1A P35348 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
ACHE P22303 1/20 0.46
GAA P10253 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
CPS1 P31327 1/20 0.46

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
SCHEMBL3922719 0.87 HSD17B10 (0.69) HSD17B10HTTRAB9ALMNANPC1
SCHEMBL1347457 0.84 HTT (0.68) HTTRAB9ALMNAMAPK1NPC1
SCHEMBL3923921 0.82 HSD17B10 (0.61) HSD17B10HTTRAB9ALMNANPC1
SCHEMBL3940426 0.80 HTT (0.61) HTTRAB9ALMNAMAPK1NPC1
SCHEMBL1346881 0.79 LMNA (0.76) HTTRAB9ALMNAMAPK1NPC1
SCHEMBL2845183 0.77 HTT (0.67) HTTRAB9ALMNAMAPK1NPC1
SCHEMBL2848243 0.77 HTT (0.67) HTTRAB9ALMNAMAPK1KMT2A
SCHEMBL6331262 0.77 HTT (0.67) HTTRAB9ALMNAMAPK1KMT2A
SCHEMBL1515704 0.77 HTT (0.62) HTTRAB9ALMNAMAPK1NPC1
SCHEMBL6441737 0.76 ALDH1A1 (0.73) HTTRAB9ALMNAMAPK1NPC1

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 HSD17B10 974/4885HTT 3934/4885RAB9A 2270/4885
US-20050038107-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, ESRRA HSD17B10 1179/4885HTT 3764/4885RAB9A 2271/4885
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 HSD17B10 400/4885HTT 1071/4885RAB9A 3441/4885
US-20030171428-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, GPER1 HSD17B10 1151/4885HTT 3640/4885RAB9A 2462/4885

“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.