SCHEMBL6058544

SCHEMBL6058544

OCc1cc(F)c(-c2ccc(OCc3ccccc3)cc2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.55
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
GAA P10253 3/20 0.48
MGAM O43451 2/20 0.48
SI P14410 2/20 0.48
MGAM2 Q2M2H8 2/20 0.48
IKBKE Q14164 1/20 0.48
LTA4H P09960 1/20 0.48
EPHX2 P34913 1/20 0.48
MCL1 Q07820 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46

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
Alcohol SCHEMBL7159476 0.96 GSTP1 (0.51) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL8435627 0.83 NR4A2 (0.63) GSTP1MCL1NR4A1NR4A2NR4A3
SCHEMBL6192316 0.79 LMNA (0.63) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL2303383 0.78 KDM1A (0.48) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL126452 0.77 LMNA (0.70) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL28269246 0.76 CTSV (0.48) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL3271153 0.76 CYP4F2 (0.61) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL6059000 0.76 ESR1 (0.47) GAAMGAMSIMGAM2
SCHEMBL4910012 0.76 MEN1 (0.62) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL12585458 0.75 GSTP1 (0.58) GSTP1LMNACYP1A2PTGS1SLC6A2

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 9 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-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-0757982-B1 Biphenylic compounds, process for their preparations and intermediates for this process, their use as 5-alpha-reductase inhibitors and pharmaceutical compositions containing them HOECHST MARION ROUSSEL INC (FR) 2000-09-20 EP disclosed
US-5965763-A Biphenyl compounds HOECHST MARION ROUSSEL (FR) 1999-10-12 US disclosed
US-5827887-A 5-ALPHA REDUCTASE INHIBITORS ROUSSEL UCLAF (FR) 1998-10-27 US disclosed
EP-0757982-A1 Biphenylic compounds, process for their preparations and intermediates for this process, their use as 5-alpha-reductase inhibitors and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1997-02-12 EP 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 GSTP1 564/4885LMNA 1670/4885CYP1A2 43/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 GSTP1 389/4885LMNA 2953/4885CYP1A2 66/4885

“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.