SCHEMBL4100077

SCHEMBL4100077

CCCCC(CO)NC(=N)NC(=N)N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TLR8 Q9NR97 4/20 0.33
TLR7 Q9NYK1 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PLA2G2C Q5R387 2/20 0.31
SLC15A1 P46059 1/20 0.31
SPHK1 Q9NYA1 2/20 0.31
LMNA P02545 2/20 0.31
SPHK2 Q9NRA0 1/20 0.31
CYP2D6 P10635 2/20 0.30
GMNN O75496 1/20 0.30
POLB P06746 1/20 0.30
THPO P40225 1/20 0.30
MTOR P42345 1/20 0.30
BLM P54132 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
Hydrochloric Acid SCHEMBL6265982 0.89 SLC15A1 (0.36) CA1CA2PLA2G2CSLC15A1SPHK1
SCHEMBL11803439 0.88 SLC15A1 (0.35) CA1CA2PLA2G2CSLC15A1SPHK1
Hydrochloric Acid SCHEMBL6262247 0.86 DPP7 (0.34) CA1CA2PLA2G2CSLC15A1SPHK1
Hydrochloric Acid SCHEMBL6265844 0.86 CA1 (0.35) ALDH1A1CA1CA2PLA2G2CSLC15A1
SCHEMBL4098824 0.85 TLR8 (0.41) ALDH1A1TLR8TLR7CA1CA2
SCHEMBL4103972 0.85 ALDH1A1 (0.41) ALDH1A1TLR8TLR7PLA2G2CSPHK1
Hydrochloric Acid SCHEMBL6266094 0.84 SPHK1 (0.35) PLA2G2CSLC15A1SPHK1LMNASPHK2
Hydrochloric Acid SCHEMBL6263355 0.82 PLA2G10 (0.40) SLC15A1BLMTP53CYP3A4HTT
Hydrochloric Acid SCHEMBL3412531 0.81 SPHK1 (0.33) CA1CA2PLA2G2CSPHK1SPHK2
Hydrochloric Acid SCHEMBL11808961 0.81 SPHK1 (0.33) CA1CA2PLA2G2CSPHK1SPHK2

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 ALDH1A1 1963/4885TLR8 1134/4885TLR7 1991/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 ALDH1A1 1279/4885TLR8 1444/4885TLR7 889/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 ALDH1A1 1073/4885TLR8 1887/4885TLR7 1644/4885
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 ALDH1A1 1610/4885TLR8 1260/4885TLR7 2365/4885

“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.