SCHEMBL4099157

SCHEMBL4099157

CCCCCOCCCN(C)C(=N)N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
SPHK1 Q9NYA1 4/20 0.38
TSHR P16473 1/20 0.38
SPHK2 Q9NRA0 2/20 0.36
CES2 O00748 2/20 0.36
USP2 O75604 1/20 0.34
LSS P48449 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.33
CES1 P23141 1/20 0.33
DNM1 Q05193 1/20 0.32

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
SCHEMBL4104030 0.98 HTT (0.46) HTTMEN1THRBKMT2AMAPT
SCHEMBL4110607 0.94 TSHR (0.43) HTTMEN1THRBKMT2AMAPT
SCHEMBL4100951 0.91 NOS3 (0.42) HTTMEN1THRBKMT2AMAPT
SCHEMBL4105234 0.85 NOS3 (0.43) NOS3NOS1NOS2TSHR
SCHEMBL4104188 0.84 NOS3 (0.48) NOS3NOS1NOS2SPHK1SPHK2
SCHEMBL4102862 0.83 HTT (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL4093705 0.82 SPHK2 (0.48) MEN1THRBKMT2ANOS3NOS1
SCHEMBL4100096 0.82 SPHK2 (0.48) MEN1THRBKMT2ANOS3NOS1
SCHEMBL10879824 0.82 SPHK2 (0.48) MEN1THRBKMT2ANOS3NOS1
SCHEMBL2905603 0.82 SPHK2 (0.48) MEN1THRBKMT2ANOS3NOS1

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 5 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-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 HTT 2016/4885MEN1 261/4885THRB 1928/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 HTT 1369/4885MEN1 294/4885THRB 3917/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 HTT 1124/4885MEN1 237/4885THRB 4240/4885
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 HTT 1588/4885MEN1 455/4885THRB 1142/4885

“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.