SCHEMBL6705270

SCHEMBL6705270

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.44
NOTUM Q6P988 2/20 0.39
PDK2 Q15119 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 4/20 0.34
CA1 P00915 3/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
TP53 P04637 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ABL1 P00519 1/20 0.34
CA2 P00918 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
Biphenyl SCHEMBL7167410 0.94 PREP (0.40) PREPNOTUMPDK2ALDH1A1CA1
SCHEMBL6058804 0.88 PREP (0.46) PREPCA1CA12CA9
SCHEMBL6697474 0.78 HTR1D (0.39) PREPNOTUMPDK2ALDH1A1KDM4E
SCHEMBL6701789 0.78 HPGD (0.47) PREPALDH1A1KDM4EMAPTABL1
SCHEMBL8906116 0.77 CA1 (0.56) PREPNOTUMALDH1A1KDM4EMAPT
SCHEMBL6058993 0.77 PREP (0.41) PREPCA1CA12CA9CYP11B1
SCHEMBL6625609 0.74 KDM4E (0.44) PREPNOTUMALDH1A1KDM4ECA1
SCHEMBL18304558 0.74 KDM4E (0.44) NOTUMALDH1A1KDM4EMAPTCA1
SCHEMBL7160791 0.74 HTR1D (0.36) PREP
SCHEMBL16396444 0.72 NOTUM (0.51) NOTUMALDH1A1KDM4EMAPTCA1

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 PREP 3168/4885NOTUM 1438/4885PDK2 2462/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 PREP 3603/4885NOTUM 266/4885PDK2 3348/4885

“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.