SCHEMBL1077366

SCHEMBL1077366

COc1ccc(-n2c(-c3c(C)noc3C)c(SC)c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
CYP1A2 P05177 7/20 0.42
CYP3A4 P08684 7/20 0.42
USP2 O75604 6/20 0.42
ALDH1A1 P00352 6/20 0.42
CYP2C19 P33261 5/20 0.42
CYP2C9 P11712 4/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.42
BRD4 O60885 4/20 0.42
RPS6KB1 P23443 1/20 0.40
ROCK1 Q13464 1/20 0.40
HSD17B10 Q99714 5/20 0.40
CLK4 Q9HAZ1 5/20 0.40
ALOX15 P16050 4/20 0.40
HTT P42858 1/20 0.39
CYP2D6 P10635 3/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL12387068 0.89 CYP1A2 (0.39) LMNACYP1A2CYP3A4USP2ALDH1A1
SCHEMBL13667779 0.85 BRD4 (0.42) LMNACYP1A2CYP3A4USP2ALDH1A1
SCHEMBL1074368 0.85 BRD4 (0.53) LMNACYP1A2CYP3A4USP2ALDH1A1
SCHEMBL1077949 0.85 RPS6KB1 (0.46) LMNACYP1A2CYP3A4USP2ALDH1A1
SCHEMBL12387085 0.85 BRD4 (0.42) LMNACYP1A2CYP3A4USP2ALDH1A1
SCHEMBL1075850 0.85 BRD4 (0.42) LMNACYP1A2CYP3A4USP2ALDH1A1
SCHEMBL1077121 0.83 CREBBP (0.41) LMNACYP1A2CYP3A4USP2ALDH1A1
SCHEMBL12387059 0.83 BRD4 (0.40) LMNACYP1A2CYP3A4USP2ALDH1A1
SCHEMBL2147061 0.82 NPC1 (0.46) LMNAUSP2ALDH1A1MAPK1BRD4
SCHEMBL1075624 0.82 MAPT (0.43) LMNACYP1A2CYP3A4USP2ALDH1A1

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 23 patents — showing the first 20. 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
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-20110201555-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-08-18 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-2346824-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-07-27 EP disclosed
EP-2276732-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-01-26 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
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 (3 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 LMNA 3473/4885CYP1A2 1232/4885CYP3A4 1726/4885
US-20130131061-A1 Novel Estrogen Receptor Ligands ESR1, GPER1, ESRRA LMNA 3927/4885CYP1A2 1101/4885CYP3A4 1352/4885
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, GPER1, ESRRA LMNA 3887/4885CYP1A2 1096/4885CYP3A4 1164/4885

“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.