SCHEMBL278891

SCHEMBL278891

C=C(C)C(=O)OCCN(C)c1ccc(C=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.41
CYP2A13 Q16696 1/20 0.41
ALDH1A1 P00352 5/20 0.39
ALDH3A1 P30838 1/20 0.39
ALDH1A3 P47895 1/20 0.39
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 3/20 0.36
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
BCHE P06276 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13456623 0.86 ALDH1A1 (0.41) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL9680443 0.85 CYP2A6 (0.46) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL3181962 0.84 CA1 (0.43) ALDH1A1POLBAPEX1HTTTDP1
SCHEMBL1011170 0.82 POLB (0.43) POLBAPEX1HTTTDP1THRB
SCHEMBL10386780 0.82 CYP2A6 (0.42) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL9846841 0.81 MAOB (0.36) ALDH1A1POLBKMT2ALMNA
SCHEMBL25083558 0.81 BCHE (0.44) POLBAPEX1HTTTDP1THRB
SCHEMBL278599 0.81 PHLPP2 (0.48) ALDH1A1POLBAPEX1HTTTDP1
SCHEMBL6046909 0.80 MAPT (0.46) KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL6046910 0.80 MAPT (0.46) KMT2ALMNAMAPTSMN1; SMN2

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796865-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2017-10-24 US disclosed
US-9796865-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2017-10-24 US disclosed
EP-2604663-B1 Curable liquids and inkjet inks for food packaging applications AGFA GRAPHICS NV (BE) 2017-08-09 EP disclosed
US-9718971-B2 Curable liquids and inkjet inks for food packaging applications AGFA GRAPHICS NV (BE) 2017-08-01 US disclosed
US-9718971-B2 Curable liquids and inkjet inks for food packaging applications AGFA GRAPHICS NV (BE) 2017-08-01 US disclosed
US-9416287-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2016-08-16 US disclosed
US-9416287-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2016-08-16 US disclosed
US-9249321-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2016-02-02 US disclosed
US-9249321-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2016-02-02 US disclosed
US-8985753-B2 LED curable compositions AGFA GRAPHICS NV (BE) 2015-03-24 US disclosed
US-20110159203-A1 RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-06-30 US disclosed
US-20110124768-A1 CURABLE LIQUIDS AND INKS FOR TOYS AND FOOD PACKAGING APPLICATIONS AGFA GRAPHICS NV (BE) 2011-05-26 US disclosed
US-20110124768-A1 CURABLE LIQUIDS AND INKS FOR TOYS AND FOOD PACKAGING APPLICATIONS AGFA GRAPHICS NV (BE) 2011-05-26 US disclosed
US-20100331478-A1 RADIATION CURABLE INKJET PRINTING METHODS AGFA GRAPHICS NV (BE) 2010-12-30 US disclosed
US-20100331478-A1 RADIATION CURABLE INKJET PRINTING METHODS AGFA GRAPHICS NV (BE) 2010-12-30 US disclosed
US-20100313782-A1 CURABLE LIQUIDS AND INKS FOR TOYS AND FOOD PACKAGING APPLICATIONS AGFA GRAPHICS NV (BE) 2010-12-16 US disclosed
US-20100313782-A1 CURABLE LIQUIDS AND INKS FOR TOYS AND FOOD PACKAGING APPLICATIONS AGFA GRAPHICS NV (BE) 2010-12-16 US disclosed
US-20100304149-A1 RADIATION CURABLE COMPOSITIONS FOR FOOD APPLICATIONS AGFA GRAPHICS NV (BE) 2010-12-02 US disclosed
US-20100304149-A1 RADIATION CURABLE COMPOSITIONS FOR FOOD APPLICATIONS AGFA GRAPHICS NV (BE) 2010-12-02 US disclosed
WO-2010029016-A1 RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2010-03-18 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-20110159203-A1 RADIATION CURABLE COMPOSITIONS CCNH, ERH, RAD1 CYP2A6 2393/4885CYP2A13 3425/4885ALDH1A1 1459/4885

“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.