SCHEMBL4028660

SCHEMBL4028660

CC(C)Cn1nc2c(F)cccc2c1-c1ccc(O)cc1O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.36
ESR2 Q92731 2/20 0.36
MAOB P27338 1/20 0.34
HSP90AA1 P07900 1/20 0.33
NR1I2 O75469 1/20 0.33
NR3C1 P04150 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32

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
SCHEMBL4025952 0.81 ESR1 (0.43) ESR1ESR2MAOBHSP90AA1KDM4E
SCHEMBL4025729 0.81 ESR1 (0.53) ESR1ESR2MAOBHSP90AA1KDM4E
SCHEMBL4026427 0.79 ESR1 (0.50) ESR1ESR2
SCHEMBL4030775 0.77 CYP1A1 (0.39) HSP90AA1KDM4EALDH1A1LMNA
SCHEMBL4026238 0.75 ESR1 (0.43) ESR1ESR2ALDH1A1
SCHEMBL4031733 0.72 ESR1 (0.51) ESR1ESR2MAOBHSP90AA1KDM4E
SCHEMBL4031456 0.72 ESR1 (0.54) ESR1ESR2
SCHEMBL4026484 0.69 ESR1 (0.70) ESR1ESR2HSD17B1HSD17B2
SCHEMBL4030256 0.69 ESR1 (0.67) ESR1ESR2NR1I2NR3C1NR1H2
SCHEMBL4029590 0.68 ESR1 (0.50) ESR1NR1I2NR3C1NR1H2NR1H3

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 6 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
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
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 1028/4885ESR2 621/4885MAOB 3301/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885ESR2 605/4885MAOB 4011/4885

“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.