SCHEMBL3680426

SCHEMBL3680426

O=C1C(c2ccccc2)=C(c2ccc(O)cc2)C2CCCC12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.41
BCL2L1 Q07817 1/20 0.41
ESR1 P03372 8/20 0.41
ESR2 Q92731 7/20 0.41
SENP1 Q9P0U3 1/20 0.37
GSK3B P49841 1/20 0.36
CYP26A1 O43174 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS2 P35354 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
PREP P48147 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
SCHEMBL3682999 0.80 ERN1 (0.35) ESR1ESR2SENP1MEN1KMT2A
SCHEMBL3680943 0.79 ERN1 (0.36) ESR1ESR2GSK3BMEN1LMNA
SCHEMBL3682703 0.79 NPC1 (0.37) ESR1ESR2MAPTRAB9APTGS2
SCHEMBL3684902 0.78 ESR2 (0.36) ESR1ESR2SENP1MGAMGAA
SCHEMBL3676121 0.78 ESR2 (0.36) ESR1ESR2SENP1MGAMGAA
SCHEMBL3642382 0.77 P2RX3 (0.34) ESR1ESR2RAB9ASLC6A4
SCHEMBL3681589 0.76 ESR2 (0.35) ESR1ESR2SENP1CYP26A1GAA
SCHEMBL3679284 0.76 ESR2 (0.38) ESR1ESR2SENP1
SCHEMBL3640144 0.76 MMP3 (0.37) MMP3ESR1ESR2GAAMEN1
SCHEMBL3640476 0.74 ESR2 (0.38) ESR1ESR2SENP1RAB9A

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
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US claimed
EP-2176209-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-04-21 EP claimed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 WO claimed
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 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 (1 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-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, ESR2 MMP3 1237/4885BCL2L1 3877/4885ESR1 1/4885

“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.