SCHEMBL3640476

SCHEMBL3640476

O=C1C(Br)=C(c2ccc(O)cc2)C2CCCCC12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.38
ESR1 P03372 7/20 0.38
KDM1A O60341 1/20 0.33
SENP1 Q9P0U3 1/20 0.33
ESRRG P62508 1/20 0.33
MIF P14174 2/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MLLT1 Q03111 1/20 0.32
EPHX1 P07099 1/20 0.32
HSD17B1 P14061 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAP3K11 Q16584 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
SCHEMBL3676121 0.97 ESR2 (0.36) ESR2ESR1KDM1ASENP1MIF
SCHEMBL3683675 0.97 ESR2 (0.36) ESR2ESR1KDM1ASENP1MIF
SCHEMBL3684902 0.97 ESR2 (0.36) ESR2ESR1KDM1ASENP1MIF
SCHEMBL3684810 0.79 ALDH1A1 (0.33)
SCHEMBL3679284 0.78 ESR2 (0.38) ESR2ESR1KDM1ASENP1MIF
SCHEMBL3681589 0.78 ESR2 (0.35) ESR2ESR1KDM1ASENP1MIF
SCHEMBL3648225 0.78 ESR1 (0.40) ESR2ESR1KDM1A
SCHEMBL3684807 0.78 PARP10 (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL3688360 0.78 EP300 (0.36) ESR2ESR1HSD17B1
SCHEMBL3679956 0.77 KDM1A (0.35) ESR2ESR1KDM1ASENP1HSD17B1

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 4 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
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.