SCHEMBL4033226

SCHEMBL4033226

CCCn1nc(Cc2ccc(OC)cc2)c2cccc(F)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.45
HRH1 P35367 3/20 0.45
HRH3 Q9Y5N1 3/20 0.45
ADRA1B P35368 1/20 0.45
KDR P35968 3/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37
GAA P10253 1/20 0.37
GRM2 Q14416 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL4031181 0.81 ESR1 (0.54) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL4026075 0.80 KDR (0.42) ADRA1AHRH1HRH3ADRA1BKDR
SCHEMBL4030742 0.79 GPR139 (0.39) ADRA1AHRH1HRH3ADRA1BALDH1A1
SCHEMBL4030093 0.74 CRHR1 (0.44)
SCHEMBL4032801 0.74 CRHR1 (0.43) MAPTKDM4ECYP2C9GAATP53
SCHEMBL21120832 0.72 ADORA2A (0.47) ALDH1A1LMNANPSR1
SCHEMBL16797163 0.72 CNR1 (0.45) ALDH1A1MAPTKDM4ESLC5A1SLC5A2
SCHEMBL15792318 0.71 PLK1 (0.41) ALDH1A1GRM2
SCHEMBL4200871 0.71 NR1H2 (0.43) ALDH1A1MAPTLMNANPSR1KDM4E
SCHEMBL4035160 0.68 ESR1 (0.50) KDRALDH1A1MAPTHTTKDM4E

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 ADRA1A 1362/4885HRH1 1480/4885HRH3 299/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ADRA1A 990/4885HRH1 1729/4885HRH3 793/4885

“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.