SCHEMBL4031167

SCHEMBL4031167

CCCn1nc(-c2ccc(O)c(F)c2)c2cccc(-c3ccccc3)c21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.52
ESR2 Q92731 2/20 0.41
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CRHBP P24387 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CRHR2 Q13324 1/20 0.36
CYP17A1 P05093 1/20 0.36
POLB P06746 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
SCHEMBL4029925 0.86 ESR1 (0.46) ESR1MAPTTSHRMAPK1
SCHEMBL4025562 0.85 ESR1 (0.71) ESR1ESR2HSD17B1HSD17B2CYP17A1
SCHEMBL4029864 0.83 ESR1 (0.73) ESR1MEN1KMT2AMAPTTSHR
SCHEMBL5397380 0.81 ESR1 (0.56) ESR1ESR2MEN1KMT2AMAPT
SCHEMBL4027279 0.81 ESR1 (0.76) ESR1MEN1KMT2AMAPTTSHR
SCHEMBL4032113 0.81 ESR1 (0.68) ESR1
SCHEMBL4030378 0.77 ESR1 (0.53) ESR1MEN1KMT2AMAPTTSHR
SCHEMBL4035727 0.75 ESR1 (0.57) ESR1MEN1KMT2AMAPT
SCHEMBL4028975 0.75 ESR1 (0.74) ESR1MEN1KMT2AMAPTTSHR
SCHEMBL4031909 0.74 ESR1 (0.76) ESR1ESR2HSD17B1HSD17B2

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
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
EP-1542976-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES Wyeth (US) 2005-06-22 EP disclosed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US disclosed
WO-2004031159-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH (US) 2004-04-15 WO 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 621/4885HSD17B1 2206/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885ESR2 605/4885HSD17B1 1447/4885

“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.