SCHEMBL4093600

SCHEMBL4093600

CNC(=N)Nc1ccc(CCC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.54
FFAR1 O14842 11/20 0.51
FFAR4 Q5NUL3 2/20 0.50
POLB P06746 1/20 0.50
KEAP1 Q14145 1/20 0.47
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 1/20 0.47
S1PR1 P21453 1/20 0.45

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
SCHEMBL4099470 0.91 NR1H4 (0.56) NR1H4FFAR1POLBEPHX2ALDH1A1
SCHEMBL4100570 0.89 S1PR1 (0.51) NR1H4FFAR1POLBEPHX2S1PR1
SCHEMBL4100884 0.88 S1PR1 (0.53) NR1H4POLBEPHX2S1PR1
SCHEMBL4104361 0.83 MEN1 (0.54) NR1H4FFAR1POLBALDH1A1
SCHEMBL4109710 0.80 FFAR1 (0.53) NR1H4FFAR1FFAR4POLBKEAP1
SCHEMBL659263 0.80 NR1H4 (0.59) NR1H4FFAR1FFAR4KEAP1ALDH1A1
SCHEMBL8915282 0.79 FFAR1 (0.60) NR1H4FFAR1FFAR4KEAP1ALDH1A1
SCHEMBL7479986 0.79 FFAR1 (0.60) NR1H4FFAR1FFAR4POLBKEAP1
SCHEMBL11135027 0.79 TSHR (0.61) NR1H4FFAR1FFAR4POLB
SCHEMBL8201608 0.77 POLB (0.55) POLBALDH1A1

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 NR1H4 2905/4885FFAR1 874/4885FFAR4 1558/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 NR1H4 3875/4885FFAR1 4333/4885FFAR4 3934/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 NR1H4 3427/4885FFAR1 4144/4885FFAR4 3848/4885
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 NR1H4 2022/4885FFAR1 911/4885FFAR4 1568/4885

“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.