SCHEMBL17704657

SCHEMBL17704657

CCN(CCO)C(=O)C(C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
ALDH2 P05091 1/20 0.42
DPP4 P27487 1/20 0.34
LMNA P02545 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
HTR1A P08908 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30

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
SCHEMBL12156217 0.84 ALDH1A1 (0.43) ALDH1A1ALDH2DPP4LMNACA12
SCHEMBL18098236 0.84 LMNA (0.40) ALDH1A1DPP4LMNACA12CA1
SCHEMBL2310527 0.83 ALDH1A1 (0.42) ALDH1A1ALDH2LMNACA12CA1
SCHEMBL22926638 0.81 ALDH1A1 (0.41) ALDH1A1ALDH2DPP4LMNACA12
SCHEMBL28351049 0.77 ALDH1A1 (0.41) ALDH1A1ALDH2DPP4LMNACA12
SCHEMBL4120727 0.76 DPP4 (0.38) ALDH1A1ALDH2DPP4L3MBTL1
SCHEMBL4120731 0.76 DPP4 (0.62) ALDH1A1ALDH2DPP4
SCHEMBL14679290 0.76 CHRNB2 (0.42) DPP4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19308262 0.76 CHRNB2 (0.42) DPP4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9683654 0.74 ALDH1A1 (0.50) ALDH1A1ALDH2LMNACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751880-B2 Electrophotographic photosensitive member, process cartridge, electrophotographic apparatus, and imide compound CANON KABUSHIKI KAISHA (JP) 2017-09-05 US disclosed
US-9751880-B2 Electrophotographic photosensitive member, process cartridge, electrophotographic apparatus, and imide compound CANON KABUSHIKI KAISHA (JP) 2017-09-05 US disclosed
US-20160115163-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS, AND IMIDE COMPOUND CANON KABUSHIKI KAISHA (JP) 2016-04-28 US disclosed
US-20160115163-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS, AND IMIDE COMPOUND CANON KABUSHIKI KAISHA (JP) 2016-04-28 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 (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-20160115163-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS, AND IMIDE COMPOUND PPIE, PPIG, PPIA ALDH1A1 742/4885ALDH2 3510/4885DPP4 4703/4885

“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.