SCHEMBL1074368

SCHEMBL1074368

COc1ccc(-n2c(-c3c(C)noc3C)c(-c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.53
BRD2 P25440 1/20 0.49
ALDH1A1 P00352 3/20 0.45
PTGS2 P35354 1/20 0.44
USP2 O75604 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
OXTR P30559 1/20 0.43
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
G6PD P11413 1/20 0.42
GLA P06280 1/20 0.42
CREBBP Q92793 1/20 0.42
RPS6KB1 P23443 1/20 0.41
ROCK1 Q13464 1/20 0.41
EDNRA P25101 1/20 0.41

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
SCHEMBL1077949 0.86 RPS6KB1 (0.46) BRD4ALDH1A1PTGS2USP2CYP1A2
SCHEMBL13667779 0.86 BRD4 (0.42) BRD4BRD2ALDH1A1PTGS2USP2
SCHEMBL1075850 0.86 BRD4 (0.42) BRD4ALDH1A1PTGS2USP2CYP1A2
SCHEMBL12387085 0.86 BRD4 (0.42) BRD4ALDH1A1PTGS2USP2CYP1A2
SCHEMBL1038868 0.86 BRD4 (0.51) BRD4BRD2ALDH1A1PTGS2USP2
SCHEMBL1077366 0.85 LMNA (0.43) BRD4ALDH1A1PTGS2USP2CYP1A2
SCHEMBL12387059 0.84 BRD4 (0.40) BRD4ALDH1A1PTGS2USP2CYP1A2
SCHEMBL1077121 0.84 CREBBP (0.41) BRD4ALDH1A1PTGS2USP2CYP1A2
SCHEMBL1075624 0.83 MAPT (0.43) BRD4BRD2ALDH1A1PTGS2USP2
SCHEMBL2147061 0.83 NPC1 (0.46) BRD4ALDH1A1USP2MAPK1NPSR1

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 16 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
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 BRD4 713/4885BRD2 2356/4885ALDH1A1 1765/4885
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, GPER1, ESRRA BRD4 628/4885BRD2 2332/4885ALDH1A1 1909/4885

“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.