SCHEMBL4101199

SCHEMBL4101199

COCCOCCNC(=N)NCCOCCOC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 6/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.33
EPHX2 P34913 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DDAH1 O94760 1/20 0.31
CA2 P00918 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
SCHEMBL4099879 1.00 MEN1 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4103973 0.90 MEN1 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4093535 0.90 MEN1 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4094112 0.87 MEN1 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL4093663 0.85 ALDH1A1 (0.38) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL12133997 0.85 MEN1 (0.34) MEN1KMT2ASMN1; SMN2DDAH1CA2
SCHEMBL4094463 0.83 MEN1 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6938635 0.83 MEN1 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4093591 0.82 MEN1 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
Bromide SCHEMBL9641035 0.81 MEN1 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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 6 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
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP 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 MEN1 261/4885KMT2A 322/4885SMN1; SMN2 3027/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 MEN1 294/4885KMT2A 555/4885SMN1; SMN2 3724/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 MEN1 237/4885KMT2A 949/4885SMN1; SMN2 3508/4885
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 MEN1 455/4885KMT2A 665/4885SMN1; SMN2 3800/4885

“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.