SCHEMBL4031966

SCHEMBL4031966

Oc1ccc(-c2n[nH]c3c(C(F)(F)F)cccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.50
MAPK1 P28482 4/20 0.50
MAP2K4 P45985 3/20 0.50
MAPKAPK2 P49137 3/20 0.50
MAPK6 Q16659 3/20 0.50
MAPKAPK3 Q16644 2/20 0.50
PDPK1 O15530 1/20 0.44
HSP90AB1 P08238 1/20 0.44
FGFR1 P11362 2/20 0.43
FGFR2 P21802 2/20 0.43
FGFR3 P22607 1/20 0.43
KIF11 P52732 2/20 0.41
ESR2 Q92731 1/20 0.40
GYS1 P13807 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL1407266 0.86 SMN1; SMN2 (0.50) MAP2K4KIF11GYS1KDM4ESMN1; SMN2
SCHEMBL1407075 0.86 ALDH1A1 (0.49) ESR1MAP2K4FGFR1KIF11KDM4E
SCHEMBL4032567 0.84 KDM4E (0.40) ESR1MAPK1MAP2K4MAPKAPK2MAPK6
SCHEMBL1407136 0.81 MEN1 (0.44) MEN1KMT2AMAPT
SCHEMBL4032541 0.80 PDPK1 (0.47) ESR1MAPK1MAP2K4MAPKAPK2MAPK6
SCHEMBL20674188 0.79 KIF11 (0.46) ESR1KIF11KDM4ESMN1; SMN2MEN1
SCHEMBL4028606 0.78 MAPK1 (0.62) ESR1MAPK1MAP2K4MAPKAPK2MAPK6
SCHEMBL4025987 0.76 CHEK1 (0.54) ESR1MAPK1MAP2K4MAPKAPK2MAPK6
SCHEMBL4493386 0.76 CTNNB1 (0.40) ESR1KIF11ESR2KDM4ESMN1; SMN2
SCHEMBL2661233 0.74 CHEK1 (0.55) PDPK1FGFR1KIF11KDM4ESMN1; SMN2

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
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
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 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.