SCHEMBL4029925

SCHEMBL4029925

CCCn1nc(-c2ccc(OC)c(F)c2)c2cccc(-c3ccccc3)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.46
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
PTGIR P43119 1/20 0.44
PTGDR Q13258 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CD274 Q9NZQ7 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL4031235 0.87 ESR1 (0.61) ESR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4031167 0.86 ESR1 (0.52) ESR1MAPK1TSHRMAPT
SCHEMBL4030378 0.83 ESR1 (0.53) ESR1L3MBTL1HPGDKDM4ENPSR1
SCHEMBL4027614 0.80 ESR1 (0.55) ESR1HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL4035160 0.80 ESR1 (0.50) ESR1HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL4029864 0.78 ESR1 (0.73) ESR1MAPK1HSD17B10TSHRMAPT
SCHEMBL4030848 0.76 ESR1 (0.65) ESR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4027279 0.75 ESR1 (0.76) ESR1KDM4ENPSR1NFKB1MAPK1
SCHEMBL4032113 0.75 ESR1 (0.68) ESR1
SCHEMBL4031181 0.75 ESR1 (0.54) ESR1HPGDKDM4EALDH1A1SMN1; SMN2

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.