SCHEMBL4100220

SCHEMBL4100220

CCOC(=O)CCCCCNC(=N)N

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 2/20 0.50
NAMPT P43490 1/20 0.49
GAA P10253 1/20 0.49
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DGKA P23743 1/20 0.42

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
SCHEMBL4099875 0.98 CYP1A2 (0.52) EPHX2ALDH1A1CYP1A2NAMPTGAA
SCHEMBL4109677 0.93 CYP1A2 (0.53) EPHX2ALDH1A1CYP1A2GAACYP3A4
SCHEMBL5840681 0.86 EPHX2 (0.54) EPHX2ALDH1A1CYP1A2NAMPTGAA
SCHEMBL11792895 0.86 EPHX2 (0.54) EPHX2ALDH1A1CYP1A2NAMPTGAA
SCHEMBL4093617 0.86 CYP1A2 (0.47) EPHX2ALDH1A1CYP1A2GAAALOX15
SCHEMBL6763238 0.85 EPHX2 (0.51) EPHX2ALDH1A1SMN1; SMN2DGKA
SCHEMBL4103229 0.84 EPHX2 (0.50) EPHX2ALDH1A1CYP1A2GAAALOX15
SCHEMBL8560286 0.84 EPHX2 (0.52) EPHX2DGKA
SCHEMBL5840678 0.83 EPHX2 (0.54) EPHX2ALDH1A1CYP1A2NAMPTGAA
SCHEMBL4093088 0.82 TSHR (0.52) EPHX2ALDH1A1CYP1A2ALOX15TSHR

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-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 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 (4 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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA EPHX2 3781/4885ALDH1A1 1963/4885CYP1A2 1788/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 EPHX2 2648/4885ALDH1A1 1279/4885CYP1A2 2280/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 EPHX2 2936/4885ALDH1A1 1073/4885CYP1A2 2186/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT EPHX2 3448/4885ALDH1A1 1610/4885CYP1A2 2496/4885

“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.