SCHEMBL4092909

SCHEMBL4092909

CNC(=N)NCCCC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
EPHX2 P34913 6/20 0.45
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL4099168 0.94 TSHR (0.50) TSHREPHX2ALDH1A1SMN1; SMN2LMNA
SCHEMBL4098735 0.93 EPHX2 (0.49) TSHREPHX2ALDH1A1LMNACA12
SCHEMBL4097709 0.88 TSHR (0.48) TSHREPHX2ALDH1A1SMN1; SMN2LMNA
SCHEMBL4093123 0.84 CYP1A2 (0.47) EPHX2ALDH1A1SMN1; SMN2
SCHEMBL4111857 0.82 LMNA (0.47) EPHX2ALDH1A1LMNA
SCHEMBL4104465 0.81 EPHX2 (0.45) EPHX2ALDH1A1SMN1; SMN2LMNA
SCHEMBL4099428 0.80 ADRA1A (0.48) TSHREPHX2LMNA
SCHEMBL4100366 0.79 ALDH1A1 (0.50) EPHX2ALDH1A1SMN1; SMN2
SCHEMBL4103840 0.78 TSHR (0.54) TSHREPHX2ALDH1A1SMN1; SMN2LMNA
SCHEMBL4100423 0.78 EPHX2 (0.50) TSHREPHX2ALDH1A1

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 1694/4885EPHX2 3781/4885ALDH1A1 1963/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 TSHR 3766/4885EPHX2 2648/4885ALDH1A1 1279/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 TSHR 3770/4885EPHX2 2936/4885ALDH1A1 1073/4885
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 1691/4885EPHX2 3448/4885ALDH1A1 1610/4885

“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.