SCHEMBL4112975

SCHEMBL4112975

CCCOCCCNC(=N)NC(=N)N

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.34
EPHX2 P34913 3/20 0.34
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 3/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4104272 0.93 TSHR (0.39) ACHEMAPTHSD17B10TSHRRECQL
SCHEMBL4094451 0.92 MAPT (0.39) ACHEEPHX2MAPTHSD17B10
SCHEMBL4104067 0.90 MEN1 (0.42) ACHEEPHX2MAPT
SCHEMBL4099120 0.88 TSHR (0.43) HSD17B10TSHRSMN1; SMN2
SCHEMBL4098844 0.85 SMN1; SMN2 (0.40) ACHEEPHX2MAPTHSD17B10TSHR
SCHEMBL4109773 0.85 EPHX2 (0.39) ACHEEPHX2MAPTHSD17B10TSHR
SCHEMBL12133988 0.81 EPHX2 (0.33) EPHX2MAPTHSD17B10TSHRRECQL
Buformin SCHEMBL27451 0.81 GRIN2D (0.44) ACHE
SCHEMBL4101369 0.80 ALDH1A1 (0.46) EPHX2MAPTTSHRRECQLSMN1; SMN2
SCHEMBL4103946 0.80 EPHX2 (0.36) ACHEEPHX2MAPTHSD17B10TSHR

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 ACHE 740/4885EPHX2 3781/4885MAPT 2845/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 ACHE 2175/4885EPHX2 2648/4885MAPT 2382/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 ACHE 2666/4885EPHX2 2936/4885MAPT 2407/4885
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 ACHE 482/4885EPHX2 3448/4885MAPT 3332/4885

“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.