SCHEMBL4029772

SCHEMBL4029772

Oc1ccc(-c2n[nH]c3cc(C(F)(F)F)ccc23)cc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.68
MAP2K4 P45985 6/20 0.64
MAPK1 P28482 3/20 0.64
MAPK6 Q16659 3/20 0.64
MAPKAPK5 Q8IW41 1/20 0.64
MAPKAPK3 Q16644 2/20 0.58
MAPKAPK2 P49137 1/20 0.58
PDPK1 O15530 1/20 0.49
HSP90AB1 P08238 1/20 0.49
FGFR1 P11362 2/20 0.48
FGFR2 P21802 1/20 0.48
FGFR3 P22607 1/20 0.48
GSK3B P49841 1/20 0.44
SNCA P37840 1/20 0.43
ESR1 P03372 1/20 0.43
CHEK1 O14757 3/20 0.43
CDK4 P11802 3/20 0.43
CCNA2 P20248 3/20 0.43
CCND1 P24385 3/20 0.43
CDK2 P24941 3/20 0.43

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
SCHEMBL4213844 0.89 MAP2K4 (0.74) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL4027845 0.85 MAP2K4 (0.78) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL17818474 0.80 TRPA1 (0.68) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL1513065 0.79 MAP2K4 (0.70) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL22801763 0.78 MAP2K4 (1.00) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL4032487 0.78 MAP2K4 (0.61) TRPA1MAP2K4PDPK1HSP90AB1FGFR1
SCHEMBL22819365 0.76 MAP2K4 (1.00) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL4035759 0.75 IDO1 (0.61) MAP2K4MAPK1MAPK6MAPKAPK3PDPK1
SCHEMBL22801559 0.74 MAP2K4 (0.73) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL4025104 0.74 MAP2K4 (1.00) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5

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 3 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

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 TRPA1 4025/4885MAP2K4 793/4885MAPK1 857/4885

“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.