SCHEMBL1077008

SCHEMBL1077008

Cc1noc(C)c1-c1c(C(=O)Cl)c2ccccc2n1-c1ccc(O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
BRD4 O60885 3/20 0.38
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 5/20 0.37
CYP3A4 P08684 5/20 0.37
CLK4 Q9HAZ1 5/20 0.37
ALOX15 P16050 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP2C19 P33261 3/20 0.37
USP2 O75604 2/20 0.37
CYP2C9 P11712 1/20 0.37
RORC P51449 1/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
PLA2G1B P04054 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2146217 0.90 HPGD (0.43) ESR1ESR2BRD4KMT2ANPSR1
SCHEMBL1077169 0.90 GAA (0.44) ESR1ESR2BRD4KMT2ANPSR1
SCHEMBL30385481 0.89 MAPT (0.47) ESR1ESR2BRD4KMT2ACYP1A2
SCHEMBL1076344 0.89 MAPT (0.47) ESR1ESR2BRD4KMT2ACYP1A2
SCHEMBL1075535 0.89 ESR1 (0.39) ESR1ESR2BRD4KMT2ANPSR1
SCHEMBL30386550 0.89 ESR1 (0.39) ESR1ESR2BRD4KMT2ANPSR1
SCHEMBL1076740 0.87 HDAC6 (0.40) ESR1ESR2BRD4KMT2ANPSR1
SCHEMBL27842285 0.87 ESR1 (0.38) ESR1ESR2BRD4KMT2ANPSR1
SCHEMBL30386360 0.87 HDAC6 (0.40) ESR1ESR2BRD4KMT2ANPSR1
SCHEMBL1077353 0.87 BRD4 (0.39) ESR1ESR2BRD4KMT2ACYP1A2

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 17 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
CN-102066323-A Novel estrogen receptor ligands KAROBIO AB 2011-05-18 CN 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
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 4/4885BRD4 713/4885
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, GPER1, ESRRA ESR1 1/4885ESR2 4/4885BRD4 628/4885

“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.