SCHEMBL4104470

SCHEMBL4104470

CCCOC(=O)CCCN(C)C(=N)N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.49
DGKA P23743 1/20 0.49
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
HTR2C P28335 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
CNR1 P21554 1/20 0.36
MAPK1 P28482 1/20 0.36
USP2 O75604 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4102785 0.90 DNM1 (0.44) DNM1DGKANOS3NOS1NOS2
SCHEMBL4093126 0.87 CYP1A2 (0.52) DNM1DGKANOS3NOS1NOS2
SCHEMBL3360083 0.86 DNM1 (0.64) DNM1DGKANOS3NOS1NOS2
SCHEMBL3360231 0.84 DNM1 (0.67) DNM1DGKAPRSS1PRSS2PRSS3
SCHEMBL3362845 0.84 DNM1 (0.67) DNM1DGKAPRSS1PRSS2PRSS3
SCHEMBL3359049 0.84 DNM1 (0.67) DNM1DGKAPRSS1PRSS2PRSS3
SCHEMBL3359910 0.84 DNM1 (0.67) DNM1DGKAPRSS1PRSS2PRSS3
SCHEMBL13822021 0.84 DNM1 (0.67) DNM1DGKAPRSS1PRSS2PRSS3
SCHEMBL3359977 0.84 DNM1 (0.67) DNM1DGKAPRSS1PRSS2PRSS3
SCHEMBL3359624 0.84 DNM1 (0.67) DNM1DGKAPRSS1PRSS2PRSS3

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 DNM1 2301/4885DGKA 1086/4885NOS3 323/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 DNM1 2628/4885DGKA 798/4885NOS3 1293/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 DNM1 1911/4885DGKA 884/4885NOS3 1322/4885
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 DNM1 2970/4885DGKA 96/4885NOS3 634/4885

“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.