SCHEMBL3679956

SCHEMBL3679956

CC1CC2C(=O)C(Br)=C(c3ccc(O)cc3)C2C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
ESR2 Q92731 8/20 0.34
ESR1 P03372 7/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
SENP1 Q9P0U3 1/20 0.32
DEGS1 O15121 1/20 0.31
HSD17B1 P14061 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
SCHEMBL13970074 0.84 KDM1A (0.35) KDM1AESR2ESR1SENP1HSD17B1
SCHEMBL3687905 0.83 ESR1 (0.34) KDM1AESR2ESR1
SCHEMBL3684902 0.77 ESR2 (0.36) KDM1AESR2ESR1SENP1HSD17B1
SCHEMBL3640476 0.77 ESR2 (0.38) KDM1AESR2ESR1SENP1HSD17B1
SCHEMBL3676121 0.77 ESR2 (0.36) KDM1AESR2ESR1SENP1HSD17B1
SCHEMBL13261938 0.75 ESR1 (0.33) KDM1AESR2ESR1SENP1
SCHEMBL3642379 0.75 ESR1 (0.33) KDM1AESR2ESR1SENP1
SCHEMBL13261939 0.75 ESR1 (0.33) KDM1AESR2ESR1SENP1
SCHEMBL3644644 0.74 CYP19A1 (0.32) ESR2ESR1
SCHEMBL13970045 0.69 KDM1A (0.36) KDM1AESR2ESR1SENP1DEGS1

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 KDM1A 737/4885ESR2 3/4885ESR1 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.