SCHEMBL4110620

SCHEMBL4110620

CCCOC(=O)CNC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NAAA Q02083 1/20 0.34
DGKA P23743 1/20 0.34
ACHE P22303 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PPIB P23284 1/20 0.33
PPIA P62937 1/20 0.33
PPID Q08752 1/20 0.33
PPIG Q13427 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL5249238 0.90 S1PR1 (0.33) GAAALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL28195253 0.89 NAAA (0.44) GAAALDH1A1MAPTTDP1POLB
SCHEMBL28158274 0.88 MEN1 (0.36) GAAALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL27924099 0.87 NAAA (0.52) TDP1NAAADGKAACHE
SCHEMBL27330180 0.86 NAAA (0.55) NAAADGKAACHE
SCHEMBL27458393 0.86 NAAA (0.55) NAAADGKAACHE
SCHEMBL11070272 0.86 NAAA (0.55) NAAADGKAACHE
SCHEMBL27546388 0.86 NAAA (0.55) NAAADGKAACHE
SCHEMBL27370301 0.86 NAAA (0.55) NAAADGKAACHE
SCHEMBL28191838 0.86 NAAA (0.55) NAAADGKAACHE

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109400463-A The preparation method of 2- positive propoxy chloroacetic chloride 北京颖泰嘉和生物科技股份有限公司 2019-03-01 CN disclosed
CN-108219141-A A kind of ester group functional poly siloxanes and preparation method and application 山东交通学院 2018-06-29 CN disclosed
CN-106146750-A Collapse protective poly-carboxylic acid high-performance water reducing agent and preparation method thereof 四川宇砼建材有限公司 2016-11-23 CN disclosed
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 GAA 4688/4885ALDH1A1 1963/4885SMN1; SMN2 3027/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 GAA 3613/4885ALDH1A1 1279/4885SMN1; SMN2 3724/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 GAA 4099/4885ALDH1A1 1073/4885SMN1; 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 GAA 1616/4885ALDH1A1 1610/4885SMN1; 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.