SCHEMBL4104465

SCHEMBL4104465

CCCOC(=O)CCCNC(=N)NC

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.45
DGKA P23743 1/20 0.44
TOP2A P11388 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.40
ACHE P22303 1/20 0.40
DNM1 Q05193 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 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
SCHEMBL4102789 0.90 ALDH1A1 (0.40) EPHX2DGKATOP2ASMN1; SMN2MAPT
SCHEMBL4093123 0.87 CYP1A2 (0.47) EPHX2SMN1; SMN2ALDH1A1
SCHEMBL3919787 0.86 DGKA (0.56) EPHX2DGKAMAPTDNM1ALDH1A1
SCHEMBL3929539 0.84 DGKA (0.59) EPHX2DGKAMAPTDNM1ALDH1A1
SCHEMBL3360953 0.84 DGKA (0.59) EPHX2DGKAMAPTDNM1ALDH1A1
SCHEMBL3920402 0.84 DGKA (0.59) EPHX2DGKAMAPTDNM1ALDH1A1
SCHEMBL3922163 0.84 DGKA (0.59) EPHX2DGKAMAPTDNM1ALDH1A1
SCHEMBL3923877 0.84 DGKA (0.59) EPHX2DGKAMAPTDNM1ALDH1A1
SCHEMBL3359626 0.84 DGKA (0.59) EPHX2DGKAMAPTDNM1ALDH1A1
SCHEMBL3921532 0.83 ALDH1A1 (0.40) EPHX2DGKATOP2AACHEDNM1

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 3781/4885DGKA 1086/4885TOP2A 756/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 EPHX2 2648/4885DGKA 798/4885TOP2A 1311/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 EPHX2 2936/4885DGKA 884/4885TOP2A 1636/4885
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 3448/4885DGKA 96/4885TOP2A 2858/4885

“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.