SCHEMBL6703989

SCHEMBL6703989

Oc1ccc(-c2c3cccc(F)c3nn2C2CCCC2)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.51
PIK3CD O00329 9/20 0.40
ABL1 P00519 9/20 0.40
EGFR P00533 9/20 0.40
HCK P08631 9/20 0.40
SRC P12931 9/20 0.40
KDR P35968 9/20 0.40
PIK3CA P42336 9/20 0.40
PIK3CB P42338 9/20 0.40
MTOR P42345 9/20 0.40
PIK3CG P48736 9/20 0.40
EPHB4 P54760 9/20 0.40
PRKDC P78527 9/20 0.40
PI4KB Q9UBF8 5/20 0.40
APP P05067 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CMKLR1 Q99788 1/20 0.33
ADRA1A P35348 1/20 0.32

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
SCHEMBL1407383 0.86 ESR1 (0.64) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4031733 0.81 ESR1 (0.51) ESR1PIK3CDABL1EGFRHCK
SCHEMBL1407427 0.78 ESR1 (0.46) ESR1ADRA1AKCNH2HRH3KDM4E
SCHEMBL4025587 0.71 ESR1 (0.64) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4028322 0.70 ESR1 (0.71) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4030618 0.69 CYP1A1 (0.42) ESR1KDM4E
SCHEMBL4030702 0.68 ESR1 (0.66) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4027904 0.68 ESR1 (1.00) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4029431 0.68 ESR1 (0.71) ESR1PIK3CDABL1EGFRHCK
SCHEMBL4025780 0.67 ESR1 (0.97) ESR1PIK3CDABL1EGFRHCK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885PIK3CD 2207/4885ABL1 1747/4885

“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.