SCHEMBL3682999

SCHEMBL3682999

O=C1C(c2ccsc2)=C(c2ccc(O)cc2)C2CCCC12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.35
ACMSD Q8TDX5 1/20 0.35
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KMT2A Q03164 1/20 0.34
ESRRG P62508 1/20 0.33
PTGS2 P35354 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
FYN P06241 1/20 0.32
GALR1 P47211 1/20 0.31
ESR1 P03372 3/20 0.31
ESR2 Q92731 3/20 0.31
P2RX3 P56373 2/20 0.31
SENP1 Q9P0U3 1/20 0.30

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
SCHEMBL3680426 0.80 MMP3 (0.41) MEN1KMT2APTGS2ESR1ESR2
SCHEMBL3682703 0.77 NPC1 (0.37) ERN1PTGS2FYNESR1ESR2
SCHEMBL3723397 0.75 ALDH1A1 (0.33) MEN1KMT2APTGS2ESR1ESR2
SCHEMBL3682112 0.75 ESR1 (0.38) MEN1KMT2AESR1ESR2
SCHEMBL3646252 0.74 L3MBTL1 (0.36) MEN1KMT2APTGS2ESR2
SCHEMBL3683675 0.73 ESR2 (0.36) ESR1ESR2SENP1
SCHEMBL3676121 0.73 ESR2 (0.36) ESR1ESR2SENP1
SCHEMBL3684902 0.73 ESR2 (0.36) ESR1ESR2SENP1
SCHEMBL3681589 0.72 ESR2 (0.35) ESR1ESR2SENP1
SCHEMBL3679284 0.72 ESR2 (0.38) ESR1ESR2SENP1

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
EP-2176209-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-04-21 EP disclosed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 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 (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 ERN1 622/4885ACMSD 4054/4885MEN1 2945/4885

“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.