SCHEMBL19701743

SCHEMBL19701743

COC(=O)/C=C/C(=O)OC(C)C(=O)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.42
HCAR2 Q8TDS4 3/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
HTT P42858 2/20 0.35
DPP4 P27487 2/20 0.35
DPP7 Q9UHL4 1/20 0.35
GPX4 P36969 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL19701745 1.00 ALDH1A1 (0.42) ALDH1A1L3MBTL1LMNAKMT2AHCAR2
SCHEMBL18288681 0.93 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNAKMT2AHCAR2
SCHEMBL18288705 0.92 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNAKMT2AHCAR2
SCHEMBL2609712 0.84 SMN1; SMN2 (0.43) ALDH1A1L3MBTL1HCAR2KEAP1NFE2L2
SCHEMBL2609715 0.84 SMN1; SMN2 (0.43) ALDH1A1L3MBTL1HCAR2KEAP1NFE2L2
SCHEMBL18288709 0.84 ALDH1A1 (0.43) ALDH1A1L3MBTL1LMNAKMT2AKDM4E
SCHEMBL6598455 0.78 L3MBTL1 (0.41) ALDH1A1L3MBTL1LMNAKMT2AMAPT
SCHEMBL18292237 0.77 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1KMT2AKDM4EHTT
SCHEMBL18288694 0.75 LMNA (0.38) ALDH1A1L3MBTL1LMNAKMT2AHCAR2
SCHEMBL18199366 0.74 HCAR2 (0.38) ALDH1A1L3MBTL1LMNAHCAR2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180000770-A1 Methods of Treating Multiple Sclerosis BIOGEN MA INC (US) 2018-01-04 US disclosed
US-20170368013-A1 Methods of Treating Multiple Sclerosis BIOGEN MA INC. 2017-12-28 US disclosed
US-20170354630-A1 Methods of Treating Multiple Sclerosis BIOGEN MA INC. 2017-12-14 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 (3 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-20170368013-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML ALDH1A1 3424/4885L3MBTL1 1836/4885LMNA 3109/4885
US-20180000770-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML ALDH1A1 3424/4885L3MBTL1 1836/4885LMNA 3109/4885
US-20170354630-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML ALDH1A1 3424/4885L3MBTL1 1836/4885LMNA 3109/4885

“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.