SCHEMBL4097709

SCHEMBL4097709

CNC(=N)NCCC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
CA12 O43570 4/20 0.45
CA14 Q9ULX7 4/20 0.45
EPHX2 P34913 2/20 0.42
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
CA2 P00918 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34

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
SCHEMBL4092909 0.88 TSHR (0.52) TSHRCA12CA14EPHX2LMNA
SCHEMBL4099168 0.86 TSHR (0.50) TSHRCA12CA14EPHX2LMNA
SCHEMBL4098735 0.85 EPHX2 (0.49) TSHRCA12CA14EPHX2CA7
SCHEMBL4093132 0.82 GAA (0.45) EPHX2KMT2AALDH1A1MGAMGAA
SCHEMBL24241872 0.82 TSHR (0.46) TSHRCA12CA14EPHX2KMT2A
SCHEMBL4093907 0.81 LMNA (0.42) TSHRCA12CA14EPHX2CA7
SCHEMBL4102789 0.80 ALDH1A1 (0.40) EPHX2LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL4093622 0.78 TET2 (0.50) TSHRCA12CA14EPHX2KMT2A
SCHEMBL13452937 0.78 EPHX2 (0.53) TSHRCA12CA14EPHX2KMT2A
SCHEMBL3194539 0.78 ECE1 (0.43) TSHRLMNAKDM4EHTT

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 TSHR 1694/4885CA12 2835/4885CA14 2220/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 TSHR 3766/4885CA12 3511/4885CA14 2206/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 TSHR 3770/4885CA12 3323/4885CA14 2167/4885
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 TSHR 1691/4885CA12 2752/4885CA14 1875/4885

“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.