SCHEMBL4035750

SCHEMBL4035750

OCCn1nc(-c2ccc(O)cc2O)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.62
ESR2 Q92731 2/20 0.45
PTGER1 P34995 1/20 0.39
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
HSP90AA1 P07900 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
SCHEMBL4026299 0.87 ESR1 (0.77) ESR1ESR2HSP90AA1
SCHEMBL4035081 0.85 ESR1 (0.57) ESR1PTGER1SCN5ASCN9A
SCHEMBL4035851 0.83 ESR1 (0.59) ESR1ESR2PTGER1
SCHEMBL4035119 0.83 ESR1 (0.74) ESR1ESR2SCN9AHSP90AA1
SCHEMBL4203517 0.81 ESR1 (0.64) ESR1ESR2
SCHEMBL4025242 0.81 ESR1 (0.44) ESR1PTGER1SCN5ASCN9A
SCHEMBL4030941 0.80 ESR1 (0.61) ESR1ESR2
SCHEMBL4029037 0.77 ESR1 (1.00) ESR1ESR2HSP90AA1
SCHEMBL4033560 0.77 ESR1 (0.54) ESR1ESR2
SCHEMBL4031605 0.76 ESR1 (1.00) ESR1ESR2HSP90AA1

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 ESR1 1028/4885ESR2 621/4885PTGER1 349/4885

“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.