SCHEMBL4100420

SCHEMBL4100420

CCOC(=O)CCCCCN(C)C(=N)N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
DNM1 Q05193 1/20 0.45
DGKA P23743 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ALOX5 P09917 1/20 0.39
KDM5A P29375 1/20 0.38
KMT2A Q03164 1/20 0.38
PAM P19021 2/20 0.38

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
SCHEMBL4100364 0.98 CYP1A2 (0.50) CYP1A2DNM1DGKANOS3NOS1
SCHEMBL4093126 0.93 CYP1A2 (0.52) CYP1A2DNM1DGKANOS3NOS1
SCHEMBL4093127 0.86 CYP1A2 (0.46) CYP1A2DNM1NOS3NOS1NOS2
SCHEMBL4098732 0.83 TSHR (0.47) DNM1DGKANOS3NOS1NOS2
SCHEMBL11834389 0.83 EPHX2 (0.50) CYP1A2DNM1DGKAALDH1A1ALOX15
SCHEMBL4099173 0.81 TSHR (0.48) DNM1NOS3NOS1NOS2ALDH1A1
SCHEMBL13822021 0.81 DNM1 (0.67) DNM1DGKAALDH1A1TSHRKMT2A
SCHEMBL3359977 0.81 DNM1 (0.67) DNM1DGKAALDH1A1TSHRKMT2A
SCHEMBL3362845 0.81 DNM1 (0.67) DNM1DGKAALDH1A1TSHRKMT2A
SCHEMBL3360231 0.81 DNM1 (0.67) DNM1DGKAALDH1A1TSHRKMT2A

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 CYP1A2 1788/4885DNM1 2301/4885DGKA 1086/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 CYP1A2 2280/4885DNM1 2628/4885DGKA 798/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 CYP1A2 2186/4885DNM1 1911/4885DGKA 884/4885
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 CYP1A2 2496/4885DNM1 2970/4885DGKA 96/4885

“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.