SCHEMBL4032054

SCHEMBL4032054

Oc1ccc(-c2nn(Cc3ccccc3)c3ccc(C(F)(F)F)cc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.61
PTGER1 P34995 1/20 0.49
F2RL3 Q96RI0 1/20 0.47
MAPK1 P28482 2/20 0.46
MAP2K4 P45985 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
MAPKAPK3 Q16644 1/20 0.46
MAPK6 Q16659 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CFTR P13569 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RORC P51449 1/20 0.42
PTGER4 P35408 2/20 0.41
FSCN1 Q16658 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL5400987 0.92 PTGER1 (0.53) ESR1PTGER1F2RL3MAPTCFTR
SCHEMBL4028897 0.91 ESR1 (0.61) ESR1PTGER1F2RL3MAPK1MAP2K4
SCHEMBL4031633 0.86 ESR1 (0.50) ESR1PTGER1MEN1MAPTKMT2A
SCHEMBL4032078 0.82 ESR1 (0.57) ESR1PTGER1MAPK1MAP2K4MAPKAPK2
SCHEMBL4030143 0.82 ESR1 (0.57) ESR1F2RL3MAPK1MAP2K4MAPKAPK2
SCHEMBL4028940 0.81 ESR1 (0.69) ESR1F2RL3MAPK1MAPTKMT2A
SCHEMBL4029018 0.79 ESR1 (0.51) ESR1PTGER1MAPK1MAP2K4MAPKAPK2
SCHEMBL14380101 0.78 CNR1 (0.47) PTGER1MAPTALDH1A1PTGER4FSCN1
SCHEMBL17028033 0.78 PTGER4 (0.54) ESR1PTGER1F2RL3MAPK1MAPT
SCHEMBL30495303 0.78 PTGER4 (0.54) ESR1PTGER1F2RL3MAPK1MAPT

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 1028/4885PTGER1 349/4885F2RL3 401/4885

“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.