SCHEMBL4026002

SCHEMBL4026002

CCC(CC)Cn1nc(-c2ccc(O)cc2O)c2cccc(C(F)(F)F)c21

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.67
ESR2 Q92731 1/20 0.67
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
CNR1 P21554 1/20 0.35
NR2F2 P24468 1/20 0.35
CNR2 P34972 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
RORC P51449 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34

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
SCHEMBL4026484 0.89 ESR1 (0.70) ESR1ESR2MAPTMEN1CNR1
SCHEMBL4032442 0.83 ESR1 (0.67) ESR1ESR2CNR2
SCHEMBL4025855 0.83 ESR1 (0.65) ESR1ESR2MAPTMEN1CNR1
SCHEMBL4028196 0.81 ESR1 (0.73) ESR1ESR2MAPTMEN1CNR1
SCHEMBL3890967 0.81 ESR1 (1.00) ESR1ESR2MAPTMEN1CNR1
SCHEMBL4031100 0.80 ESR1 (0.43) ESR1ESR2MEN1KMT2A
SCHEMBL4027869 0.79 ESR1 (0.65) ESR1ESR2MAPTMEN1CNR1
SCHEMBL4027546 0.79 ESR1 (0.83) ESR1ESR2MAPTMEN1CNR1
SCHEMBL4028933 0.77 ESR1 (0.74) ESR1ESR2RORC
SCHEMBL4027049 0.77 ESR1 (0.65) ESR1ESR2CNR2

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 13 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
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 (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 1028/4885ESR2 621/4885MAPT 4276/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885ESR2 605/4885MAPT 4325/4885
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors IKBKB, NFKBIA, IKBKG ESR1 19/4885ESR2 11/4885MAPT 4544/4885

“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.