SCHEMBL1076322

SCHEMBL1076322

C=C(OCC)c1c(C#N)c2ccccc2n1-c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 9/20 0.38
MAPK1 P28482 3/20 0.38
STAT3 P40763 1/20 0.38
MAPT P10636 6/20 0.37
LMNA P02545 6/20 0.37
L3MBTL1 Q9Y468 5/20 0.37
GLA P06280 2/20 0.37
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
NPSR1 Q6W5P4 3/20 0.35

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
SCHEMBL1076907 0.78 ALDH1A1 (0.43) TDP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1077415 0.77 ALDH1A1 (0.50) TDP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1075175 0.77 ALDH1A1 (0.40) TDP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1075173 0.77 ALDH1A1 (0.40) TDP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1075176 0.77 ALDH1A1 (0.40) TDP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1075893 0.75 ALDH1A1 (0.40) TDP1SMN1; SMN2RECQLMEN1KMT2A
SCHEMBL2308765 0.73 EGFR (0.40) TDP1SMN1; SMN2RECQLMEN1KMT2A
SCHEMBL2315007 0.73 ALDH1A1 (0.39) TDP1MEN1KMT2AALDH1A1MAPK1
SCHEMBL1076313 0.73 KDM4E (0.46) TDP1MEN1KMT2AALDH1A1MAPK1
SCHEMBL1077453 0.72 ALDH1A1 (0.41) TDP1MEN1KMT2AALDH1A1MAPK1

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 7 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-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-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

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 TDP1 3894/4885SMN1; SMN2 3996/4885RECQL 2935/4885
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, GPER1, ESRRA TDP1 3923/4885SMN1; SMN2 4106/4885RECQL 2883/4885

“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.