SCHEMBL6058489

SCHEMBL6058489

OCc1cc(Br)c(-c2ccc(O)cc2)c(I)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
ESR1 P03372 5/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
ESR2 Q92731 3/20 0.33
PCNA P12004 1/20 0.33
LIG1 P18858 1/20 0.33
SENP1 Q9P0U3 1/20 0.33
MGAM O43451 2/20 0.33
GAA P10253 2/20 0.33
SI P14410 2/20 0.33
MGAM2 Q2M2H8 2/20 0.33
ABL1 P00519 2/20 0.32
ABCB1 P08183 2/20 0.32
BCR P11274 2/20 0.32
TAAR5 O14804 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ESRRB O95718 1/20 0.32
ESRRA P11474 1/20 0.32
CA2 P00918 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
Phenol SCHEMBL7160743 0.94 MMP3 (0.37) ACHEESR1MMP3ESR2SENP1
SCHEMBL5523932 0.89 ACHE (0.43) ACHEESR1MMP2MMP3ESR2
SCHEMBL6059195 0.81 USP7 (0.37) ACHEESR1MMP2MMP3ESR2
SCHEMBL6059279 0.78 ESR1 (0.34) ACHEESR1MMP2MMP3ESR2
SCHEMBL5525073 0.78 ACHE (0.33) ACHEESR1MMP2MMP3SENP1
SCHEMBL5528639 0.75 BACE1 (0.38) ESR1ESR2GAAABCB1MEN1
SCHEMBL5531079 0.75 VHL (0.37) ACHEESR1ESR2SENP1MGAM
SCHEMBL6058993 0.74 PREP (0.41)
SCHEMBL5527886 0.73 PTGER2 (0.43) ESR1MMP2MMP3
SCHEMBL5527905 0.71 ACHE (0.43) ACHEESR1MMP2MMP3ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877607-B1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS AVENTIS PHARMA SA (FR) 2006-11-15 EP disclosed
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-6563008-B2 Treatment of disorders linked to hypofolliculinemia and of certain estrogen-dependent pathologies such as prostatic adenomas or carcinomas, and of benign tumours of the breast AVENTIS PHARMA S.A. (FR) 2003-05-13 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
EP-0877607-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1998-11-18 EP disclosed
WO-1997027846-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1997-08-07 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-20020068736-A1 Biphenyl compounds and their use as oestrogenic agents ESR2, ESR1, CYP19A1 ACHE 1222/4885ESR1 2/4885MMP2 1585/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 ACHE 159/4885ESR1 16/4885MMP2 2296/4885

“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.