SCHEMBL4031733

SCHEMBL4031733

Oc1ccc(-c2c3cccc(F)c3nn2C2CCCC2)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.51
MAOB P27338 1/20 0.37
HSP90AA1 P07900 1/20 0.36
PIK3CD O00329 3/20 0.36
ABL1 P00519 3/20 0.36
EGFR P00533 3/20 0.36
HCK P08631 3/20 0.36
SRC P12931 3/20 0.36
KDR P35968 3/20 0.36
PIK3CA P42336 3/20 0.36
PIK3CB P42338 3/20 0.36
MTOR P42345 3/20 0.36
PIK3CG P48736 3/20 0.36
EPHB4 P54760 3/20 0.36
PRKDC P78527 3/20 0.36
PI4KB Q9UBF8 2/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
CMKLR1 Q99788 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
SCHEMBL1407383 0.84 ESR1 (0.64) ESR1MAOBPIK3CDABL1EGFR
SCHEMBL6703989 0.81 ESR1 (0.51) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4028557 0.80 ESR1 (0.72) ESR1MAOBPIK3CDABL1EGFR
SCHEMBL4030618 0.76 CYP1A1 (0.42) ESR1HSP90AA1ALDH1A1LMNAGAA
SCHEMBL4025952 0.75 ESR1 (0.43) ESR1MAOBHSP90AA1PIK3CDABL1
SCHEMBL4028660 0.72 ESR1 (0.36) ESR1MAOBHSP90AA1ALDH1A1LMNA
SCHEMBL4025729 0.72 ESR1 (0.53) ESR1MAOBHSP90AA1ALDH1A1LMNA
SCHEMBL1407427 0.71 ESR1 (0.46) ESR1MAOBALDH1A1LMNAKDM4E
SCHEMBL4030643 0.70 ESR1 (0.58) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4025587 0.68 ESR1 (0.64) ESR1MAOBPIK3CDABL1EGFR

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 6 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
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 (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 1028/4885MAOB 3301/4885HSP90AA1 3155/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885MAOB 4011/4885HSP90AA1 2734/4885

“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.