SCHEMBL3682740

SCHEMBL3682740

ON=C1C(Br)=C(c2ccc(O)cc2)C2CCCC12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.36
ESR1 P03372 3/20 0.36
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM1A O60341 1/20 0.31
MIF P14174 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 0.79 ESR2 (0.36) ESR2ESR1GAAKDM1AMIF
SCHEMBL3683675 0.79 ESR2 (0.36) ESR2ESR1GAAKDM1AMIF
SCHEMBL3684902 0.79 ESR2 (0.36) ESR2ESR1GAAKDM1AMIF
SCHEMBL3680706 0.78 ALDH1A1 (0.31)
SCHEMBL3680704 0.78 ALDH1A1 (0.31)
SCHEMBL3640476 0.76 ESR2 (0.38) ESR2ESR1KDM1AMIF
SCHEMBL3648225 0.68 ESR1 (0.40) ESR2ESR1KMT2AKDM1A
SCHEMBL3681589 0.65 ESR2 (0.35) ESR2ESR1GAAKDM1AMIF
SCHEMBL3679284 0.65 ESR2 (0.38) ESR2ESR1KDM1AMIF
SCHEMBL3677499 0.63 HSD17B1 (0.36) ESR2ESR1

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 1/4885GAA 3746/4885

“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.