SCHEMBL2146131

SCHEMBL2146131

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
BRD4 O60885 5/20 0.38
USP2 O75604 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KLK7 P49862 1/20 0.37
PLA2G1B P04054 1/20 0.36
TSHR P16473 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
SCHEMBL13460253 0.89 ESR1 (0.40) ERN1ESR1ESR2BRD4USP2
SCHEMBL2146933 0.87 ESR2 (0.39) ESR1ESR2BRD4USP2CYP1A2
SCHEMBL2146930 0.87 ESR2 (0.39) ESR1ESR2BRD4USP2CYP1A2
SCHEMBL2282785 0.86 ERN1 (0.44) ERN1BRD4USP2CYP1A2CYP3A4
SCHEMBL2283208 0.86 ERN1 (0.44) ERN1BRD4USP2CYP1A2CYP3A4
SCHEMBL2285069 0.85 ERN1 (0.43) ERN1BRD4
SCHEMBL2288265 0.85 ERN1 (0.49) ERN1BRD4USP2CYP1A2CYP3A4
SCHEMBL2146459 0.84 ESR1 (0.37) ESR1ESR2BRD4USP2CYP1A2
SCHEMBL2146602 0.84 ERN1 (0.45) ERN1ESR1ESR2BRD4LMNA
SCHEMBL1076301 0.83 ESR1 (0.39) ESR1ESR2BRD4USP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102216268-A Novel estrogen receptor ligands KAROBIO AB 2011-10-12 CN disclosed
US-20110201555-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-08-18 US disclosed
US-20110201555-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-08-18 US disclosed
EP-2346824-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-07-27 EP disclosed
WO-2010031852-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-03-25 WO disclosed
WO-2010031852-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-03-25 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-20110201555-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, GPER1 ERN1 384/4885ESR1 1/4885ESR2 4/4885

“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.