Sugi Predict

Sugi Predict / Compounds / SCHEMBL2146459

SCHEMBL2146459

SCHEMBL2146459

CON=Cc1c(-c2c(C)noc2C)n(-c2ccc(O)cc2)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.37
▸ ESR2 Q92731 2/20 0.37
▸ CYP1A2 P05177 10/20 0.34
▸ CYP3A4 P08684 8/20 0.34
▸ CLK4 Q9HAZ1 7/20 0.34
▸ HSD17B10 Q99714 6/20 0.34
▸ USP2 O75604 6/20 0.34
▸ CYP2C19 P33261 6/20 0.34
▸ ALOX15 P16050 5/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ BRD4 O60885 4/20 0.33
▸ BRD2 P25440 1/20 0.33
▸ TSHR P16473 4/20 0.32
▸ CYP2D6 P10635 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ LMNA P02545 3/20 0.32

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
SCHEMBL2146930 0.89 ESR2 (0.39) ESR1ESR2CYP1A2CYP3A4CLK4
SCHEMBL2146933 0.89 ESR2 (0.39) ESR1ESR2CYP1A2CYP3A4CLK4
SCHEMBL13460253 0.84 ESR1 (0.40) ESR1ESR2CYP1A2CYP3A4CLK4
SCHEMBL2146131 0.84 ERN1 (0.41) ESR1ESR2CYP1A2CYP3A4CLK4
SCHEMBL1077056 0.79 ESR1 (0.42) ESR1ESR2CYP1A2CYP3A4CLK4
SCHEMBL1077095 0.79 ESR2 (0.42) ESR1ESR2CYP1A2CYP3A4CLK4
SCHEMBL1076904 0.79 ESR1 (0.42) ESR1ESR2CYP1A2CYP3A4CLK4
SCHEMBL1038868 0.79 BRD4 (0.51) ESR1ESR2CYP1A2CYP3A4CLK4
SCHEMBL13667778 0.79 ESR1 (0.42) ESR1ESR2CYP1A2CYP3A4CLK4
SCHEMBL1076232 0.78 ESR1 (0.39) ESR1ESR2CYP1A2CYP3A4CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102216268-A Novel estrogen receptor ligands KAROBIO AB 2011-10-12 — — CN claimed
US-20110201555-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-08-18 — — US claimed
EP-2346824-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-07-27 — — EP claimed
WO-2010031852-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-03-25 — — WO claimed
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

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 ESR1 1/4885ESR2 4/4885CYP1A2 1232/4885

“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.