SCHEMBL4030742

SCHEMBL4030742

CCCn1nc2c(F)cccc2c1Cc1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
GRM2 Q14416 4/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LTA4H P09960 1/20 0.37
PDE1A P54750 2/20 0.36
PDE1B Q01064 2/20 0.36
PDE1C Q14123 2/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
ADRA1B P35368 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HSP90AB1 P08238 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
SCHEMBL4200871 0.81 NR1H2 (0.43) GPR139KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4032473 0.80 GPR139 (0.39) GPR139KDM4EALDH1A1HPGDTP53
SCHEMBL4033226 0.79 ADRA1A (0.45) KDM4EALDH1A1CYP2C9HPGDGRM2
SCHEMBL4034768 0.74 CRHR1 (0.40) GPR139
SCHEMBL18723388 0.72 ESR1 (0.39) GPR139ALDH1A1GRM2SMN1; SMN2CNR1
SCHEMBL15793139 0.71 HTR2C (0.37) ALDH1A1GRM2MAPTHTR2CHTR7
SCHEMBL4031181 0.71 ESR1 (0.54) KDM4EALDH1A1HPGDTP53MAPT
SCHEMBL4029516 0.67 TNKS (0.46) GPR139KDM4EALDH1A1HPGDTP53
SCHEMBL1407316 0.66 P2RX7 (0.40) KDM4EALDH1A1CYP2C9TP53MAPT
SCHEMBL13106353 0.66 HTR2C (0.36) ALDH1A1HTR2CHTR7HTR2BHTR3A

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 GPR139 497/4885KDM4E 339/4885ALDH1A1 2279/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 GPR139 1256/4885KDM4E 408/4885ALDH1A1 1965/4885

“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.