SCHEMBL4030702

SCHEMBL4030702

Oc1ccc(-c2nn(C3CCCC3)c3c(-c4ccc(O)c(O)c4)cccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.66
CMKLR1 Q99788 4/20 0.43
PIK3CD O00329 5/20 0.38
ABL1 P00519 5/20 0.38
EGFR P00533 5/20 0.38
HCK P08631 5/20 0.38
SRC P12931 5/20 0.38
KDR P35968 5/20 0.38
PIK3CA P42336 5/20 0.38
PIK3CB P42338 5/20 0.38
MTOR P42345 5/20 0.38
PIK3CG P48736 5/20 0.38
EPHB4 P54760 5/20 0.38
PRKDC P78527 5/20 0.38
PI4KB Q9UBF8 4/20 0.38
APP P05067 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL4031906 0.88 ESR1 (0.72) ESR1CMKLR1ADORA2AADORA1
SCHEMBL4025919 0.87 ESR1 (0.51) ESR1CMKLR1PIK3CDABL1EGFR
SCHEMBL4032516 0.87 ESR1 (0.70) ESR1CMKLR1ADORA2AADORA1
SCHEMBL4027242 0.82 ESR1 (0.67) ESR1CMKLR1
SCHEMBL4031653 0.82 ESR1 (0.64) ESR1CMKLR1
SCHEMBL4031236 0.82 ESR1 (0.64) ESR1CMKLR1PIK3CDABL1EGFR
SCHEMBL4027899 0.82 ESR1 (0.80) ESR1CMKLR1PIK3CDABL1EGFR
SCHEMBL4028190 0.82 ESR1 (0.66) ESR1CMKLR1
SCHEMBL4029324 0.80 ESR1 (0.64) ESR1CMKLR1PIK3CDABL1EGFR
SCHEMBL4028645 0.80 ESR1 (0.64) ESR1CMKLR1

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 8 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
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US 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

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 1028/4885CMKLR1 399/4885PIK3CD 2619/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885CMKLR1 525/4885PIK3CD 2207/4885
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors IKBKB, NFKBIA, IKBKG ESR1 19/4885CMKLR1 996/4885PIK3CD 3593/4885

“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.