SCHEMBL6697474

SCHEMBL6697474

COC(=O)c1cc(Br)c(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c(C#CCN(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
PREP P48147 4/20 0.37
PDK2 Q15119 1/20 0.32
NOTUM Q6P988 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7160791 0.94 HTR1D (0.36) HTR1DHTR1BPREP
SCHEMBL6058554 0.85 PREP (0.34) HTR1DHTR1BPREP
SCHEMBL6705270 0.78 PREP (0.44) PREPPDK2NOTUMKDM4EALDH1A1
Biphenyl SCHEMBL7167410 0.74 PREP (0.40) PREPPDK2NOTUMALDH1A1
SCHEMBL6701789 0.69 HPGD (0.47) PREPKDM4EALDH1A1
SCHEMBL8906116 0.69 CA1 (0.56) PREPNOTUMKDM4EALDH1A1
SCHEMBL6058804 0.67 PREP (0.46) PREP
SCHEMBL18304558 0.66 KDM4E (0.44) NOTUMKDM4EALDH1A1
SCHEMBL6625609 0.66 KDM4E (0.44) PREPNOTUMKDM4EALDH1A1
SCHEMBL20487829 0.66 KDM4E (0.39) PREPNOTUMKDM4EALDH1A1

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-6794415-B2 Biphenyl compounds and their use as oestrogenic agents AVENTIS PHARMA S.A. (FR) 2004-09-21 US disclosed
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents AVENTIS PHARMA S.A. 2004-03-04 US disclosed
US-20020068736-A1 Biphenyl compounds and their use as oestrogenic agents LESUISSE DOMINIQUE (FR) 2002-06-06 US disclosed
US-6288126-B1 Biphenyl compounds and use thereof as oestrogenic agents AVENTIS PHARMA S.A. 2001-09-11 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-20020068736-A1 Biphenyl compounds and their use as oestrogenic agents ESR2, ESR1, CYP19A1 HTR1D 1815/4885HTR1B 503/4885PREP 3168/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 HTR1D 1398/4885HTR1B 886/4885PREP 3603/4885

“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.