SCHEMBL4093907

SCHEMBL4093907

CNC(=N)NCCC(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.39
EPHX2 P34913 1/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 3/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.31
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CETP P11597 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
SCHEMBL4111857 0.90 LMNA (0.47) LMNAHTTEPHX2MAPTALDH1A1
SCHEMBL4097709 0.81 TSHR (0.48) LMNAHTTEPHX2MAPTTSHR
SCHEMBL4111843 0.80 LMNA (0.43) LMNAHTTEPHX2MAPTTSHR
SCHEMBL5811678 0.77 LMNA (0.47) LMNAHTTEPHX2MAPTTSHR
SCHEMBL18520796 0.77 LMNA (0.50) LMNAHTTEPHX2MAPTTSHR
SCHEMBL4093132 0.76 GAA (0.45) EPHX2ALDH1A1GAA
SCHEMBL14511684 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL25827441 0.75 LMNA (0.42) LMNAHTTEPHX2MAPTTSHR
SCHEMBL4102789 0.74 ALDH1A1 (0.40) LMNAEPHX2MAPTALDH1A1
SCHEMBL23152926 0.73 ECE1 (0.32)

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 LMNA 117/4885HTT 2016/4885EPHX2 3781/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 LMNA 132/4885HTT 1369/4885EPHX2 2648/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 LMNA 85/4885HTT 1124/4885EPHX2 2936/4885
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 LMNA 129/4885HTT 1588/4885EPHX2 3448/4885

“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.