SCHEMBL4549029

SCHEMBL4549029

CCOC(=O)c1ccc(N(C)CCCCCCCCCCN(C)c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
HPGD P15428 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 2/20 0.52
GAA P10253 2/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 7/20 0.50
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
ESR1 P03372 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
ESR2 Q92731 1/20 0.49
CA14 Q9ULX7 1/20 0.49

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
SCHEMBL8649097 0.88 L3MBTL1 (0.52) NPC1ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL9042074 0.87 GAA (0.56) NPC1ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL12132543 0.85 ALDH1A1 (0.56) NPC1ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL15704245 0.85 L3MBTL1 (0.58) NPC1ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL1756724 0.82 CA12 (0.51) NPC1ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL19515108 0.82 MTNR1A (0.52) NPC1ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL12132539 0.82 CA12 (0.54) NPC1ALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL1756791 0.82 CA12 (0.54) NPC1ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL19185573 0.82 NOTUM (0.42) NPC1ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL4444431 0.81 CA1 (0.70) NPC1SMN1; SMN2HPGDGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2444429-B1 LED CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2016-09-07 EP disclosed
US-8985753-B2 LED curable compositions AGFA GRAPHICS NV (BE) 2015-03-24 US disclosed
US-8985753-B2 LED curable compositions AGFA GRAPHICS NV (BE) 2015-03-24 US disclosed
US-20140285568-A1 CURABLE LIQUIDS AND INKJET INKS FOR FOOD PACKAGING APPLICATIONS AGFA GRAPHICS NV (BE) 2014-09-25 US disclosed
US-20140285568-A1 CURABLE LIQUIDS AND INKJET INKS FOR FOOD PACKAGING APPLICATIONS AGFA GRAPHICS NV (BE) 2014-09-25 US disclosed
US-8759412-B2 Polymerisable photoinitiators for LED curable compositions AGFA GRAPHICS NV (BE) 2014-06-24 US disclosed
US-8759412-B2 Polymerisable photoinitiators for LED curable compositions AGFA GRAPHICS NV (BE) 2014-06-24 US disclosed
US-8530510-B2 Polymerizable photoinitiators and radiation curable compositions AGFA GRAPHICS NV (BE) 2013-09-10 US disclosed
US-8530510-B2 Polymerizable photoinitiators and radiation curable compositions AGFA GRAPHICS NV (BE) 2013-09-10 US disclosed
US-20130210954-A1 POLYMERISABLE PHOTOINITIATORS FOR LED CURABLE COMPOSITIONS AGFA-GEVAERT N.V. (BE) 2013-08-15 US disclosed
US-20130210954-A1 POLYMERISABLE PHOTOINITIATORS FOR LED CURABLE COMPOSITIONS AGFA-GEVAERT N.V. (BE) 2013-08-15 US disclosed
US-20130176370-A1 LED CURABLE COMPOSITIONS AGFA-GEVAERT N.V. (BE) 2013-07-11 US disclosed
US-20130176370-A1 LED CURABLE COMPOSITIONS AGFA-GEVAERT N.V. (BE) 2013-07-11 US disclosed
EP-2447259-A1 Polymerisable photoinitiators for LED curable compositions Agfa-Gevaert (BE) 2012-05-02 EP disclosed
US-20110195198-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-08-11 US disclosed
US-20110195198-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-08-11 US 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-20130210954-A1 POLYMERISABLE PHOTOINITIATORS FOR LED CURABLE COMPOSITIONS ADSL, ALAD, ACSL3 NPC1 4473/4885ALDH1A1 97/4885SMN1; SMN2 3970/4885
US-20110195198-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS RAD52, CCNH, TOP2B NPC1 4235/4885ALDH1A1 1904/4885SMN1; SMN2 988/4885

“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.