SCHEMBL1075896

SCHEMBL1075896

CCc1onc(C)c1-c1c(C#N)c2ccccc2n1-c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 5/20 0.34
STAT3 P40763 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CYP11B2 P19099 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
USP14 P54578 2/20 0.32
TSHR P16473 1/20 0.32
GRIA1 P42261 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
SCHEMBL12387083 0.88 MEN1 (0.38) LMNAMAPK1KDM4EALDH1A1TDP1
SCHEMBL1076254 0.87 ESR1 (0.40) ESR1ESR2LMNAMAPK1KDM4E
SCHEMBL13668020 0.84 ESR2 (0.39) ESR1ESR2LMNAMAPK1KDM4E
SCHEMBL1075834 0.81 ESR1 (0.37) ESR1ESR2LMNAMAPK1ALDH1A1
SCHEMBL1077888 0.79 ESR1 (0.36) ESR1ESR2LMNAMAPK1ALDH1A1
SCHEMBL1077891 0.79 ESR1 (0.36) ESR1ESR2LMNAMAPK1ALDH1A1
SCHEMBL1077893 0.79 ESR1 (0.36) ESR1ESR2LMNAMAPK1ALDH1A1
SCHEMBL1083683 0.77 KDM4E (0.38) ESR1ESR2LMNAMAPK1KDM4E
SCHEMBL1077121 0.75 CREBBP (0.41) LMNAMAPK1KDM4EALDH1A1TDP1
SCHEMBL1667661 0.75 BRD4 (0.34) ESR1ESR2LMNAKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276732-B1 NOVEL ESTROGEN RECEPTOR LIGANDS KAROBIO AB (SE) 2015-05-20 EP disclosed
US-8653072-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-02-18 US disclosed
US-8653072-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-02-18 US disclosed
US-8653072-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-02-18 US disclosed
US-20130131061-A1 Novel Estrogen Receptor Ligands KARO BIO AB (SE) 2013-05-23 US disclosed
US-20130131061-A1 Novel Estrogen Receptor Ligands KARO BIO AB (SE) 2013-05-23 US disclosed
US-20130131061-A1 Novel Estrogen Receptor Ligands KARO BIO AB (SE) 2013-05-23 US disclosed
US-8367665-B2 Estrogen receptor ligands KARO BIO AB (SE) 2013-02-05 US disclosed
US-8367665-B2 Estrogen receptor ligands KARO BIO AB (SE) 2013-02-05 US disclosed
US-8367665-B2 Estrogen receptor ligands KARO BIO AB (SE) 2013-02-05 US disclosed
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS OASMIA PHARMACEUTICAL AB (SE) 2011-08-04 US disclosed
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS OASMIA PHARMACEUTICAL AB (SE) 2011-08-04 US disclosed
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS OASMIA PHARMACEUTICAL AB (SE) 2011-08-04 US disclosed
EP-2276732-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-01-26 EP disclosed
WO-2009127686-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-10-22 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 (2 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-20130131061-A1 Novel Estrogen Receptor Ligands ESR1, GPER1, ESRRA ESR1 1/4885ESR2 4/4885LMNA 3927/4885
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, GPER1, ESRRA ESR1 1/4885ESR2 4/4885LMNA 3887/4885

“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.