SCHEMBL4027706

SCHEMBL4027706

COc1ccc(-c2nn(CC3CCCCC3)c3c(C(F)(F)F)cccc23)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.42
ESR2 Q92731 1/20 0.41
HTR2C P28335 2/20 0.39
SLC6A4 P31645 2/20 0.39
GRM2 Q14416 1/20 0.39
CRHR1 P34998 3/20 0.39
CYP27A1 Q02318 1/20 0.38
CYP24A1 Q07973 1/20 0.38
PTGIR P43119 1/20 0.37
PTGDR Q13258 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2A P28223 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36

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
SCHEMBL1407269 0.84 GRM2 (0.42) HTR2CSLC6A4GRM2CRHR1CYP27A1
SCHEMBL4026770 0.83 ESR1 (0.39) ESR1ESR2CYP27A1CYP24A1MEN1
SCHEMBL4027158 0.82 ESR1 (0.45) ESR1ESR2CRHR1MEN1KMT2A
SCHEMBL3889569 0.81 ESR1 (0.64) ESR1ESR2CRHR1MEN1KMT2A
SCHEMBL29817411 0.81 ESR1 (0.64) ESR1ESR2CRHR1MEN1KMT2A
SCHEMBL4025633 0.81 CYP1A1 (0.39) ESR1ESR2CYP27A1CYP24A1MEN1
SCHEMBL4032697 0.80 ESR1 (0.43) ESR1ESR2CRHR1MEN1KMT2A
SCHEMBL4031100 0.80 ESR1 (0.43) ESR1ESR2CRHR1MEN1KMT2A
SCHEMBL4027049 0.80 ESR1 (0.65) ESR1ESR2HTR2CSLC6A4GRM2
SCHEMBL4029988 0.76 ESR1 (0.61) ESR1ESR2CRHR1MEN1KMT2A

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 7 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
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 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 (2 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 621/4885HTR2C 3255/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885ESR2 605/4885HTR2C 2857/4885

“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.