SCHEMBL4031926

SCHEMBL4031926

CCCn1nc(-c2ccc(OC)cc2C)c2cccc(C(F)(F)F)c21

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.55
ESR2 Q92731 1/20 0.45
CRHR1 P34998 11/20 0.44

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
SCHEMBL4030093 0.86 CRHR1 (0.44) ESR1CRHR1
SCHEMBL4030022 0.86 ESR1 (0.75) ESR1ESR2CRHR1
SCHEMBL4028933 0.85 ESR1 (0.74) ESR1ESR2
SCHEMBL4033293 0.84 ESR1 (0.54) ESR1CRHR1
SCHEMBL4026375 0.84 ESR1 (0.60) ESR1ESR2
SCHEMBL4032697 0.83 ESR1 (0.43) ESR1ESR2CRHR1
SCHEMBL4027391 0.81 ESR1 (0.73) ESR1ESR2CRHR1
SCHEMBL4031100 0.77 ESR1 (0.43) ESR1ESR2CRHR1
SCHEMBL4025771 0.77 ESR1 (0.56) ESR1ESR2
SCHEMBL4027158 0.76 ESR1 (0.45) ESR1ESR2CRHR1

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 4 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
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 621/4885CRHR1 2217/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885ESR2 605/4885CRHR1 2181/4885

“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.