SCHEMBL4031235

SCHEMBL4031235

CCCn1nc(-c2ccc(OC)c(F)c2)c2cccc(Cl)c21

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.61
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 3/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
PTGS2 P35354 1/20 0.38
NPBWR1 P48145 1/20 0.38
PTGIR P43119 1/20 0.37
PTGDR Q13258 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4030848 0.90 ESR1 (0.65) ESR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4029925 0.87 ESR1 (0.46) ESR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4025562 0.84 ESR1 (0.71) ESR1PDE4BL3MBTL1NPSR1ALDH1A1
SCHEMBL4029201 0.83 ESR1 (0.54) ESR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4027997 0.82 ESR1 (0.73) ESR1L3MBTL1NPSR1ALDH1A1KDM4E
SCHEMBL4031909 0.78 ESR1 (0.76) ESR1L3MBTL1NPSR1ALDH1A1
SCHEMBL4030042 0.77 ESR1 (0.61) ESR1ALDH1A1KDM4E
SCHEMBL4031726 0.77 ESR1 (1.00) ESR1L3MBTL1NPSR1ALDH1A1KDM4E
SCHEMBL4031181 0.75 ESR1 (0.54) ESR1ALDH1A1KDM4EHPGDHTT
SCHEMBL4026618 0.74 ESR1 (0.73) ESR1L3MBTL1NPSR1ALDH1A1MAPK1

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 4 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
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 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 (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 1028/4885PDE4A 2031/4885PDE4B 1500/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885PDE4A 3028/4885PDE4B 2384/4885

“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.