SCHEMBL4100564

SCHEMBL4100564

CCCC(C(=O)O)c1ccc(N(C)C(=N)N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CPN1 P15169 1/20 0.42
CPB2 Q96IY4 1/20 0.42
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.36
PLAU P00749 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
AOC3 Q16853 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MMP9 P14780 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
SCHEMBL4103247 0.92 GAA (0.44) GAAALDH1A1L3MBTL1CPN1CPB2
SCHEMBL4099466 0.88 GAA (0.49) GAAALDH1A1L3MBTL1CPN1CPB2
SCHEMBL289157 0.79 CPN1 (0.67) GAACPN1CPB2LMNAHTT
Hydrochloric Acid SCHEMBL7370118 0.78 CPN1 (0.65) CPN1CPB2LMNACYP2C9CYP2C19
SCHEMBL4093593 0.77 PTGS2 (0.47) GAAALDH1A1L3MBTL1LMNAHTR3E
SCHEMBL4104203 0.75 HSD17B10 (0.43) ALDH1A1CPN1CPB2LMNACYP2C9
SCHEMBL22712583 0.75 LMNA (0.42) GAAALDH1A1L3MBTL1CPN1CPB2
SCHEMBL4269790 0.73 POLB (0.51) GAAALDH1A1L3MBTL1POLB
SCHEMBL633268 0.73 ESR1 (0.49) GAAALDH1A1L3MBTL1LMNAPTGS1
SCHEMBL19228532 0.72 CYP2C19 (0.53) LMNAAOC3CYP2C9CYP2C19POLB

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 GAA 4688/4885ALDH1A1 1963/4885L3MBTL1 4634/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 GAA 3613/4885ALDH1A1 1279/4885L3MBTL1 4802/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 GAA 4099/4885ALDH1A1 1073/4885L3MBTL1 4803/4885
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 1610/4885L3MBTL1 1304/4885

“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.