SCHEMBL4034801

SCHEMBL4034801

COc1ccc(-c2nn(CC(C)C)c3c(F)cccc23)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.43
ESR1 P03372 2/20 0.39
BUB1 O43683 1/20 0.37
FFAR1 O14842 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
P2RX7 Q99572 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
SCHEMBL4030053 0.89 CYP1A1 (0.39) CRHR1BUB1MEN1KMT2ASLC16A3
SCHEMBL4030093 0.86 CRHR1 (0.44) CRHR1ESR1BUB1FFAR1
SCHEMBL4031456 0.84 ESR1 (0.54) ESR1FFAR1
SCHEMBL4029667 0.83 ESR1 (0.53) CRHR1ESR1FFAR1PRKAB2PRKAG1
SCHEMBL4026427 0.77 ESR1 (0.50) ESR1
SCHEMBL4027158 0.76 ESR1 (0.45) CRHR1ESR1MEN1KMT2ASLC16A3
SCHEMBL4032801 0.75 CRHR1 (0.43) CRHR1ESR1BUB1MEN1KMT2A
SCHEMBL4029130 0.73 ESR1 (0.46) CRHR1ESR1BUB1MEN1KMT2A
SCHEMBL1407288 0.72 ESR1 (0.52) CRHR1ESR1MEN1KMT2AP2RX7
SCHEMBL4033293 0.72 ESR1 (0.54) CRHR1ESR1

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 CRHR1 2217/4885ESR1 1028/4885BUB1 3167/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 CRHR1 2181/4885ESR1 2487/4885BUB1 3482/4885

“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.