SCHEMBL4029201

SCHEMBL4029201

CCCn1nc(-c2ccc(OC(=O)CC(C)(C)C)c(F)c2)c2cccc(Cl)c21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.54
RORC P51449 4/20 0.35
NR1H4 Q96RI1 3/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MCHR1 Q99705 1/20 0.33
CTSA P10619 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL4029031 0.85 ESR1 (0.63) ESR1RORCNPSR1KDM4EALDH1A1
SCHEMBL4031235 0.83 ESR1 (0.61) ESR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4025562 0.79 ESR1 (0.71) ESR1RORCPDE4BNPSR1ALDH1A1
SCHEMBL4030848 0.75 ESR1 (0.65) ESR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4029785 0.75 ESR1 (0.68) ESR1RORCNPSR1KDM4EALDH1A1
SCHEMBL5397660 0.73 ESR1 (0.65) ESR1RORCNPSR1KDM4EALDH1A1
SCHEMBL4031909 0.73 ESR1 (0.76) ESR1RORCNPSR1ALDH1A1
SCHEMBL5397655 0.72 ESR1 (0.64) ESR1RORCNPSR1ALDH1A1MEN1
SCHEMBL4032735 0.72 ESR1 (0.69) ESR1RORCNPSR1ALDH1A1MEN1
SCHEMBL4031726 0.71 ESR1 (1.00) ESR1RORCNPSR1KDM4EALDH1A1

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 1028/4885RORC 142/4885NR1H4 757/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885RORC 87/4885NR1H4 512/4885

“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.