SCHEMBL4032078

SCHEMBL4032078

OCCn1nc(-c2ccc(O)cc2)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.57
MAPK1 P28482 2/20 0.49
MAP2K4 P45985 2/20 0.49
MAPKAPK2 P49137 1/20 0.49
MAPKAPK3 Q16644 1/20 0.49
MAPK6 Q16659 1/20 0.49
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
KIF11 P52732 1/20 0.41
PTGER1 P34995 2/20 0.40
DGAT1 O75907 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN9A Q15858 2/20 0.38
CCR2 P41597 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4035081 0.90 ESR1 (0.57) ESR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL4197102 0.88 ESR1 (0.44) ESR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL4029018 0.87 ESR1 (0.51) ESR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL4033183 0.83 ESR1 (0.51) ESR1MEN1KMT2APTGER1
SCHEMBL4032054 0.82 ESR1 (0.61) ESR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL4030717 0.82 MAPK1 (0.53) ESR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL4025242 0.78 ESR1 (0.44) ESR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL4030236 0.77 ESR1 (0.57) ESR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL4027878 0.77 ESR1 (0.63) ESR1MAPK1MAPTKMT2ACYP1A2
SCHEMBL4035750 0.76 ESR1 (0.62) ESR1PTGER1SCN9A

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 5 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
CN-101054364-A Substituted 4-(indazol-3-yl)phenols as estrogen receptor (ER) ligands and their use in the treatmentof inflammarory diseases WYETH CORP (US) 2007-10-17 CN disclosed
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 US disclosed
CN-1321984-C Substituted 4- (indazol-3-yl) phenols as Estrogen Receptor (ER) ligands and their use in the treatment of inflammation WYETH CORP (US) 2007-06-20 CN disclosed
CN-1692102-A Substituted 4- (indazol-3-yl) phenols as Estrogen Receptor (ER) ligands and their use in the treatment of inflammation WYETH CORP (US) 2005-11-02 CN 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 (1 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 1028/4885MAPK1 857/4885MAP2K4 793/4885

“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.