SCHEMBL4028977

SCHEMBL4028977

Cc1cc(O)ccc1-c1nn(C(C)C)c2c(-c3ccc(O)c(O)c3)cccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.64
PIK3CD O00329 4/20 0.44
PIK3CB P42338 4/20 0.44
PIK3CG P48736 4/20 0.44
ABL1 P00519 3/20 0.44
EGFR P00533 3/20 0.44
HCK P08631 3/20 0.44
SRC P12931 3/20 0.44
KDR P35968 3/20 0.44
PIK3CA P42336 3/20 0.44
MTOR P42345 3/20 0.44
EPHB4 P54760 3/20 0.44
PRKDC P78527 3/20 0.44
PI4KB Q9UBF8 3/20 0.44
TLR8 Q9NR97 1/20 0.39
ESR2 Q92731 5/20 0.38
APP P05067 1/20 0.35
ALOX5 P09917 2/20 0.34
NR1I2 O75469 1/20 0.34
FGFR1 P11362 1/20 0.33

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
SCHEMBL4026025 0.89 ESR1 (0.66) ESR1PIK3CDPIK3CBPIK3CGABL1
SCHEMBL4029788 0.89 ESR1 (0.69) ESR1PIK3CDPIK3CBPIK3CGABL1
SCHEMBL4027041 0.88 ESR1 (0.60) ESR1PIK3CDPIK3CBPIK3CGABL1
SCHEMBL4028981 0.86 ESR1 (0.62) ESR1PIK3CDPIK3CBPIK3CGABL1
SCHEMBL4029602 0.85 ESR1 (0.61) ESR1PIK3CDPIK3CBPIK3CGABL1
SCHEMBL4026609 0.84 ESR1 (0.69) ESR1PIK3CDPIK3CBPIK3CGABL1
SCHEMBL4027805 0.83 ESR1 (0.61) ESR1PIK3CDPIK3CBPIK3CGABL1
SCHEMBL4026423 0.81 ESR1 (0.65) ESR1PIK3CDPIK3CBPIK3CGABL1
SCHEMBL4026488 0.81 ESR1 (0.70) ESR1PIK3CDPIK3CBPIK3CGABL1
SCHEMBL4026000 0.81 ESR1 (0.73) ESR1PIK3CDPIK3CBPIK3CGABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542976-B1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH CORP (US) 2009-02-04 EP claimed
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 US claimed
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 US claimed
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors WYETH (US) 2006-05-25 US claimed
EP-1542976-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES Wyeth (US) 2005-06-22 EP claimed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US claimed
WO-2004031159-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH (US) 2004-04-15 WO claimed
EP-1542976-B1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH CORP (US) 2009-02-04 EP disclosed
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 US disclosed
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 US 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-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR ESR1 1028/4885PIK3CD 2619/4885PIK3CB 3305/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885PIK3CD 2207/4885PIK3CB 2823/4885
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors IKBKB, NFKBIA, IKBKG ESR1 19/4885PIK3CD 3593/4885PIK3CB 1595/4885

“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.