SCHEMBL6058977

SCHEMBL6058977

OCc1ccc(-c2ccc(OCc3ccccc3)cc2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 2/20 0.57
▸ FFAR1 O14842 4/20 0.50
▸ LTA4H P09960 1/20 0.50
▸ EPHX2 P34913 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ CSNK2A1 P68400 2/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MGAM O43451 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ SI P14410 2/20 0.47
▸ MGAM2 Q2M2H8 2/20 0.47

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
SCHEMBL6059052 0.82 NR4A2 (0.64) GSTP1MAOB
SCHEMBL6192316 0.81 LMNA (0.63) GSTP1FFAR1LTA4HEPHX2LMNA
SCHEMBL3900981 0.81 CSNK2A1 (0.70) CSNK2A1SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL126452 0.79 LMNA (0.70) GSTP1FFAR1LTA4HEPHX2LMNA
SCHEMBL6703561 0.78 CNR1 (0.53) GSTP1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL3237981 0.77 NPC1 (0.73) SMN1; SMN2TSHRNPC1RAB9AHPGD
SCHEMBL12585458 0.77 GSTP1 (0.58) GSTP1FFAR1LMNACYP1A2PTGS1
SCHEMBL28298033 0.77 NPSR1 (0.56) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL6058567 0.76 ESR1 (0.50) CSNK2A1
SCHEMBL23440397 0.75 LMNA (0.59) GSTP1FFAR1LTA4HEPHX2LMNA

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 7 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-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 GSTP1 564/4885FFAR1 659/4885LTA4H 1264/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 GSTP1 389/4885FFAR1 273/4885LTA4H 934/4885

“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.

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