SCHEMBL4029431

SCHEMBL4029431

Oc1ccc(-c2nn(C3CCCC3)c3c(Cl)cccc23)cc1F

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.71
PIK3CD O00329 8/20 0.42
ABL1 P00519 8/20 0.42
EGFR P00533 8/20 0.42
HCK P08631 8/20 0.42
SRC P12931 8/20 0.42
KDR P35968 8/20 0.42
PIK3CA P42336 8/20 0.42
PIK3CB P42338 8/20 0.42
MTOR P42345 8/20 0.42
PIK3CG P48736 8/20 0.42
EPHB4 P54760 8/20 0.42
PRKDC P78527 8/20 0.42
PI4KB Q9UBF8 4/20 0.42
CMKLR1 Q99788 1/20 0.39
ESR2 Q92731 1/20 0.37
JAK1 P23458 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35

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
SCHEMBL4030042 0.84 ESR1 (0.61) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4029642 0.83 ESR1 (1.00) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4026005 0.82 ESR1 (1.00) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4028322 0.80 ESR1 (0.71) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4029427 0.80 ESR1 (0.64) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4027904 0.76 ESR1 (1.00) ESR1PIK3CDABL1EGFRHCK
SCHEMBL5411401 0.76 ESR1 (0.72) ESR1EGFRCMKLR1
SCHEMBL4025780 0.75 ESR1 (0.97) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4033707 0.75 ESR1 (0.73) ESR1EGFRCMKLR1
SCHEMBL4027899 0.74 ESR1 (0.80) 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 9 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 disclosed
CN-101054364-A Substituted 4-(indazol-3-yl)phenols as estrogen receptor (ER) ligands and their use in the treatmentof inflammarory diseases WYETH CORP (US) 2007-10-17 CN 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
CN-1321984-C Substituted 4- (indazol-3-yl) phenols as Estrogen Receptor (ER) ligands and their use in the treatment of inflammation WYETH CORP (US) 2007-06-20 CN disclosed
CN-1692102-A Substituted 4- (indazol-3-yl) phenols as Estrogen Receptor (ER) ligands and their use in the treatment of inflammation WYETH CORP (US) 2005-11-02 CN disclosed
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 disclosed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US disclosed
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 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 (2 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

“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.