SCHEMBL4026423

SCHEMBL4026423

Cc1cc(O)ccc1-c1nn(C(C)C)c2c(-c3ccccc3Cl)cccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.65
PIK3CD O00329 1/20 0.45
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45
HCK P08631 1/20 0.45
SRC P12931 1/20 0.45
KDR P35968 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
MTOR P42345 1/20 0.45
PIK3CG P48736 1/20 0.45
EPHB4 P54760 1/20 0.45
PRKDC P78527 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
ESR2 Q92731 3/20 0.39
CHEK1 O14757 1/20 0.37
WEE1 P30291 1/20 0.37
DGAT2 Q96PD7 1/20 0.35
S1PR1 P21453 1/20 0.35
PDE2A O00408 1/20 0.34

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
SCHEMBL4026488 0.91 ESR1 (0.70) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4026609 0.90 ESR1 (0.69) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4029788 0.87 ESR1 (0.69) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4026025 0.85 ESR1 (0.66) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4026000 0.81 ESR1 (0.73) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4028977 0.81 ESR1 (0.64) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4026228 0.81 ESR1 (0.57) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4028981 0.81 ESR1 (0.62) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4026318 0.81 ESR1 (0.62) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4029602 0.80 ESR1 (0.61) ESR1PIK3CDABL1EGFRHCK

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 8 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
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 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 2619/4885ABL1 1218/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885PIK3CD 2207/4885ABL1 1747/4885
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors IKBKB, NFKBIA, IKBKG ESR1 19/4885PIK3CD 3593/4885ABL1 2967/4885

“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.