SCHEMBL4098667

SCHEMBL4098667

N=C(N)N(CCO)CCO

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
GRIN2D O15399 4/20 0.31
GRIN3B O60391 4/20 0.31
GRIN1 Q05586 4/20 0.31
GRIN2A Q12879 4/20 0.31
GRIN2B Q13224 4/20 0.31
GRIN2C Q14957 4/20 0.31
GRIN3A Q8TCU5 4/20 0.31

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
SCHEMBL4107976 0.82 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4102823 0.80 GRIN2D (0.34) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4100283 0.78 SIGMAR1 (0.33) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4105588 0.78 SIGMAR1 (0.33) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4103882 0.75 TSHR (0.46) MAPTALDH1A1
SCHEMBL1191275 0.73
SCHEMBL4111881 0.73 MEN1 (0.48) MAPTALDH1A1
SCHEMBL9507421 0.73
SCHEMBL1793755 0.73 GRIN2D (0.52) CA12CA1CA2CA9ALDH1A1
SCHEMBL1793751 0.73 GRIN2D (0.52) CA12CA1CA2CA9ALDH1A1

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 23 patents — showing the first 20. 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 claimed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US claimed
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 claimed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US claimed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP claimed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP claimed
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-20050249692-A1 Polymer, cosmetic composition comprising same and method of preparing same MITSUBISHI CHEMICAL CORPORATION 2005-11-10 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
EP-1236744-A2 Guanidin-group containing polymer, cosmetic employing same and method of preparing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-09-04 EP disclosed
US-6348200-B1 OXYALKYLAMIDE OR AMINE DERIVATIVES;AT LEAST ONE OF POLYHYDRIC ALCOHOLS, OR VEGETABLE EXTRACTS, OR ORGANIC ACIDS; IMPROVES WATER-RETAINING ABILITY OF HORNY LAYER, CURES ROUGHNESS AND PREVENTS WRINKLES KAO CORPORATION (JP) 2002-02-19 US disclosed
US-6187955-B1 A MOISTURIZER FOR SOFTENING SKINS; USEFUL AS COMPONENTS OF COSMETIC FORMULATIONS KAO CORPORATION (JP) 2001-02-13 US disclosed
US-5939078-A TREATING WRINKLES BY ADMINISTERING TO THE SKIN A GUANIDINE DERIVATIVE KAO CORPORATION (JP) 1999-08-17 US disclosed
US-5723133-A GUANIDINE WITH ORGANIC ACID FOR SKIN SOFTENING KAO CORPORATION (JP) 1998-03-03 US disclosed
EP-0805674-A1 SKIN AND HAIR COSMETIC COMPOSITIONS Kao Corporation (JP) 1997-11-12 EP disclosed
WO-1997014401-A1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORPORATION (JP) 1997-04-24 WO 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 (5 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 CA12 2835/4885CA1 3081/4885CA2 1106/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 CA12 3511/4885CA1 3572/4885CA2 3522/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 CA12 3323/4885CA1 3665/4885CA2 3761/4885
US-20050249692-A1 Polymer, cosmetic composition comprising same and method of preparing same DNMT1, TET2, H1-0 CA12 1469/4885CA1 2657/4885CA2 1108/4885
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 CA12 2752/4885CA1 2285/4885CA2 1238/4885

“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.