SCHEMBL3680943

SCHEMBL3680943

O=C1C(c2ccco2)=C(c2ccc(O)cc2)C2CCCC12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.36
ESR1 P03372 4/20 0.36
ESR2 Q92731 4/20 0.36
ALDH1A1 P00352 3/20 0.33
RECQL P46063 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
GSK3B P49841 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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 0.79 MMP3 (0.41) ESR1ESR2GSK3BMEN1LMNA
SCHEMBL3682703 0.74 NPC1 (0.37) ERN1ESR1ESR2ALDH1A1KDM4E
SCHEMBL3683675 0.72 ESR2 (0.36) ESR1ESR2ALOX15
SCHEMBL3684902 0.72 ESR2 (0.36) ESR1ESR2ALOX15
SCHEMBL3676121 0.72 ESR2 (0.36) ESR1ESR2ALOX15
SCHEMBL3682999 0.72 ERN1 (0.35) ERN1ESR1ESR2MEN1KMT2A
SCHEMBL3642382 0.72 P2RX3 (0.34) ESR1ESR2SLC6A4SLC6A3
SCHEMBL3681589 0.71 ESR2 (0.35) ESR1ESR2MAPK1
SCHEMBL3679284 0.71 ESR2 (0.38) ESR1ESR2CYP2D6CYP2C9
SCHEMBL3689515 0.71 BRD4 (0.43) ERN1

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 622/4885ESR1 1/4885ESR2 3/4885

“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.