SCHEMBL19701741

SCHEMBL19701741

COC(=O)/C=C/C(=O)OCC(=O)NCCCC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 6/20 0.41
HCAR2 Q8TDS4 2/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL196649 0.88 MAPT (0.43) FAAHALDH1A1KDM4EHCAR2KEAP1
SCHEMBL196650 0.88 MAPT (0.43) FAAHALDH1A1KDM4EHCAR2KEAP1
SCHEMBL29393125 0.85 ALDH1A1 (0.39) FAAHALDH1A1KDM4EHCAR2KEAP1
SCHEMBL2615390 0.85 HCAR2 (0.52) FAAHALDH1A1KDM4EHCAR2KEAP1
SCHEMBL2609694 0.84 FAAH (0.54) FAAHALDH1A1HCAR2KEAP1NFE2L2
SCHEMBL17777272 0.81 HCAR2 (0.43) ALDH1A1KDM4EHCAR2KEAP1NFE2L2
SCHEMBL19701742 0.80 HCAR2 (0.46) ALDH1A1KDM4EHCAR2KEAP1NFE2L2
SCHEMBL2609695 0.79 CYP1A2 (0.52) ALDH1A1KDM4EHCAR2KEAP1NFE2L2
SCHEMBL18292232 0.78 FAAH (0.59) FAAHALDH1A1HCAR2MAPTMEN1
SCHEMBL24098107 0.78 TSHR (0.50) FAAHKDM4EMEN1KMT2ALMNA

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 FAAH 81/4885ALDH1A1 3424/4885KDM4E 1510/4885
US-20180000770-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML FAAH 81/4885ALDH1A1 3424/4885KDM4E 1510/4885
US-20170354630-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML FAAH 81/4885ALDH1A1 3424/4885KDM4E 1510/4885

“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.