SCHEMBL4104418

SCHEMBL4104418

CCOC(=O)C1(N=C(N)N)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ERAP1 Q9NZ08 2/20 0.33
POLB P06746 1/20 0.33
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
KDM4E B2RXH2 3/20 0.32
OPRM1 P35372 3/20 0.32
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
SLC22A1 O15245 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
KCNH2 Q12809 1/20 0.31
ATM Q13315 2/20 0.31
THRB P10828 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL23509910 0.82 SMN1; SMN2 (0.38) ALOX15SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4099215 0.80 NPSR1 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AERAP1
SCHEMBL14331789 0.74 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1300428 0.73 ALOX15 (0.41) ALOX15SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1837607 0.72 ALOX15 (0.39) ALOX15SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1812214 0.72 ALOX15 (0.39) ALOX15SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7836602 0.71 SMN1; SMN2 (0.40) ALOX15SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL254353 0.71 SMN1; SMN2 (0.41) ALOX15SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9806689 0.71 SMN1; SMN2 (0.41) ALOX15SMN1; SMN2ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL1812212 0.71 SMN1; SMN2 (0.38) ALOX15SMN1; SMN2ALDH1A1MEN1KMT2A

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 ALOX15 3082/4885SMN1; SMN2 3027/4885ALDH1A1 1963/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 ALOX15 4484/4885SMN1; SMN2 3724/4885ALDH1A1 1279/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 ALOX15 4080/4885SMN1; SMN2 3508/4885ALDH1A1 1073/4885
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 ALOX15 2498/4885SMN1; SMN2 3800/4885ALDH1A1 1610/4885

“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.