SCHEMBL4027587

SCHEMBL4027587

Cn1nc(-c2ccc(O)c(O)c2)c2cccc(C(F)(F)F)c21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.53
RORC P51449 5/20 0.42
ESR2 Q92731 1/20 0.42
SSTR4 P31391 2/20 0.39
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PPARG P37231 1/20 0.36
APP P05067 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 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
SCHEMBL4028983 0.85 ESR1 (0.70) ESR1RORCESR2SSTR4MAPT
SCHEMBL4032768 0.83 ESR1 (0.77) ESR1RORCESR2HSD17B1HSD17B2
SCHEMBL4029561 0.83 ESR1 (0.44) ESR1SSTR4APP
SCHEMBL5402043 0.82 ESR1 (0.54) ESR1RORCSSTR4ALDH1A1LMNA
SCHEMBL4025914 0.80 ESR1 (0.51) ESR1RORCMAPTPPARGAPP
SCHEMBL4029651 0.80 ESR1 (0.77) ESR1RORCESR2ALDH1A1NPSR1
SCHEMBL4027869 0.80 ESR1 (0.65) ESR1ESR2SSTR4HSD17B1HSD17B2
SCHEMBL4029390 0.73 SCN9A (0.52) ESR1MAPTALDH1A1
SCHEMBL4026271 0.73 SCN9A (0.46) ESR1MAPTALDH1A1NPSR1
SCHEMBL4032567 0.72 KDM4E (0.40) ESR1RORCHSD17B1HSD17B2MAPT

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 claimed
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 US claimed
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 US claimed
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors WYETH (US) 2006-05-25 US claimed
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 claimed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US claimed
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 claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 142/4885ESR2 621/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885RORC 87/4885ESR2 605/4885
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors IKBKB, NFKBIA, IKBKG ESR1 19/4885RORC 393/4885ESR2 11/4885

“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.