SCHEMBL3683675

SCHEMBL3683675

O=C1C(Br)=C(c2ccc(O)cc2)[C@H]2CCC[C@@H]12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 11/20 0.36
ESR1 P03372 8/20 0.36
KDM1A O60341 1/20 0.33
SENP1 Q9P0U3 1/20 0.33
MIF P14174 1/20 0.33
HSD17B1 P14061 1/20 0.32
ALOX15 P16050 1/20 0.31
USP7 Q93009 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL3676121 1.00 ESR2 (0.36) ESR2ESR1KDM1ASENP1MIF
SCHEMBL3684902 1.00 ESR2 (0.36) ESR2ESR1KDM1ASENP1MIF
SCHEMBL3640476 0.97 ESR2 (0.38) ESR2ESR1KDM1ASENP1MIF
SCHEMBL3684810 0.83 ALDH1A1 (0.33) ALOX15
SCHEMBL3679284 0.81 ESR2 (0.38) ESR2ESR1KDM1ASENP1MIF
SCHEMBL3681589 0.81 ESR2 (0.35) ESR2ESR1KDM1ASENP1MIF
SCHEMBL3684807 0.81 PARP10 (0.43)
SCHEMBL3688360 0.81 EP300 (0.36) ESR2ESR1HSD17B1ALOX15
SCHEMBL3685298 0.79 HDAC1 (0.35) ALOX15GAAHDAC1HDAC6
SCHEMBL3679222 0.79 KIF11 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ESR2 3/4885ESR1 1/4885KDM1A 737/4885

“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.