SCHEMBL4658405

SCHEMBL4658405

COc1ccc(CC(C(=O)O)c2ccc(O)cc2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.64
ESR1 P03372 3/20 0.55
ESR2 Q92731 3/20 0.55
MME P08473 1/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SLC22A1 O15245 1/20 0.50
ADRB2 P07550 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRB1 P08588 1/20 0.50
CYP3A4 P08684 1/20 0.50
CHRM1 P11229 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
SLC6A4 P31645 1/20 0.50
OPRM1 P35372 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
ALOX15 P16050 1/20 0.49

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
SCHEMBL6423607 0.85 KDM4E (0.53) LDHAESR1ESR2MMEALDH1A1
SCHEMBL6423606 0.85 KDM4E (0.53) LDHAESR1ESR2MMEALDH1A1
SCHEMBL10964998 0.81 ESR1 (0.63) LDHAESR1ESR2MAPTNPC1
SCHEMBL9416618 0.81 MMP1 (0.55) LDHAALDH1A1LMNAKMT2AMMP1
SCHEMBL31438951 0.81 FOS (0.57) LDHAALDH1A1NPSR1CYP3A4TSHR
SCHEMBL30873063 0.81 ALOX15 (0.57) LDHALMNACYP3A4TSHRNFKB1
SCHEMBL27183341 0.81 ALOX15 (0.57) LDHALMNACYP3A4TSHRNFKB1
SCHEMBL27586425 0.80 ESR1 (0.54) LDHAESR1ESR2
SCHEMBL29184136 0.79 EPHX1 (0.62) LDHAALDH1A1LMNANPSR1ADRB2
SCHEMBL29184114 0.79 EPHX1 (0.62) LDHAALDH1A1LMNANPSR1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1251738-B1 NOVEL DIPHENYLETHYLENE COMPOUNDS THERACOS INC (US) 2008-12-17 EP claimed
CN-100484400-C diphenylethylene compounds CALYX THERAPEUTICS INC (US) 2009-05-06 CN disclosed
EP-1251738-B1 NOVEL DIPHENYLETHYLENE COMPOUNDS THERACOS INC (US) 2008-12-17 EP disclosed
US-20040259938-A1 Novel dipheylenthylene compounds CALYX THERAPEUTICS, INC. 2004-12-23 US disclosed
CN-1437441-A novel diphenylethylene compounds CALYX THERAPEUTICS INC (US) 2003-08-20 CN disclosed
US-20020002200-A1 Diaromaticethylene compounds orally effective anti-diabetic agents that may normalize glucose and lipid metabolism in a patient with diabetes THERACOS, INC. 2002-01-03 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-20040259938-A1 Novel dipheylenthylene compounds LIPE, GPR119, PNLIP LDHA 783/4885ESR1 1818/4885ESR2 759/4885
US-20020002200-A1 Diaromaticethylene compounds orally effective anti-diabetic agents that may normalize glucose and lipid metabolism in a patient with diabetes LIPE, GPR119, PNLIP LDHA 215/4885ESR1 1993/4885ESR2 1643/4885

“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.