SCHEMBL4479259

SCHEMBL4479259

O=C(c1cccc(O)c1)c1n[nH]c2c(C(F)(F)F)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 0.43
HSD17B2 P37059 5/20 0.43
CNR2 P34972 2/20 0.42
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
FASN P49327 1/20 0.38
P2RX1 P51575 1/20 0.38
DYRK1A Q13627 2/20 0.38
CLK1 P49759 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
CYP2C19 P33261 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
SCHEMBL4493386 0.87 CTNNB1 (0.40) CNR2CTNNB1WNT3ASMN1; SMN2LMNA
SCHEMBL4485902 0.83 MAOB (0.47) CNR2SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL16240695 0.78 CTNNB1 (0.45) CNR2CTNNB1WNT3ASMN1; SMN2LMNA
SCHEMBL16252832 0.77 CTNNB1 (0.44) CNR2CTNNB1WNT3ASMN1; SMN2LMNA
SCHEMBL6112119 0.76 CTNNB1 (0.54) CTNNB1WNT3AFASNKDM4ECYP2C19
SCHEMBL4492238 0.75 NR1H2 (0.52) SMN1; SMN2ALDH1A1HTT
SCHEMBL6112218 0.74 CTNNB1 (0.41) CNR2CTNNB1WNT3ASMN1; SMN2LMNA
SCHEMBL20674188 0.72 KIF11 (0.46) CTNNB1WNT3ASMN1; SMN2LMNAKMT2A
SCHEMBL6112279 0.71 RBP4 (0.42) CTNNB1WNT3ASMN1; SMN2LMNAKMT2A
SCHEMBL4480374 0.71 ESR1 (0.56) HSD17B1HSD17B2CNR2FASNP2RX1

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
US-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2006-05-18 US claimed
US-7598286-B2 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2009-10-06 US disclosed
US-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2006-05-18 US disclosed
WO-2006050006-A2 ((1H-INDAZOL-3-YL)METHYL) PHENOLS AND (HYDROXYPHENYL)(1H-INDAZOL-3-YL) METHANONES AS LIGANDS OF THE ESTROGEN RECEPTOR WYETH (US) 2006-05-11 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 (1 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-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones PTGS1, NOS3, PTGIS HSD17B1 223/4885HSD17B2 328/4885CNR2 588/4885

“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.