SCHEMBL4093481

SCHEMBL4093481

N=C(NC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 7/20 0.59
▸ GAA P10253 1/20 0.59
▸ CA12 O43570 3/20 0.51
▸ CA1 P00915 3/20 0.51
▸ CA2 P00918 3/20 0.51
▸ CA9 Q16790 3/20 0.51
▸ AKR1B1 P15121 1/20 0.49

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
SCHEMBL4093489 1.00 PYGB (0.59) PYGBGAACA12CA1CA2
SCHEMBL4104096 0.89 PYGB (0.57) PYGBGAACA12CA1CA2
SCHEMBL4104100 0.89 PYGB (0.57) PYGBGAACA12CA1CA2
SCHEMBL22384873 0.85 PYGB (0.56) PYGBGAACA12CA1CA2
SCHEMBL4103927 0.85 PYGB (0.56) PYGBGAACA12CA1CA2
Hydrochloric Acid SCHEMBL31357138 0.83 PYGB (0.54) PYGBGAACA12CA1CA2
SCHEMBL15387209 0.82 PYGB (0.53) PYGBGAACA12CA1CA2
SCHEMBL11416148 0.80 PYGB (0.59) PYGBGAACA12CA1CA2
SCHEMBL30957909 0.80 PYGB (0.69) PYGBGAACA12CA1CA2
SCHEMBL1224787 0.79 CA12 (0.58) PYGBGAACA12CA1CA2

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 PYGB 3236/4885GAA 4688/4885CA12 2835/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 PYGB 3711/4885GAA 3613/4885CA12 3511/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 PYGB 4265/4885GAA 4099/4885CA12 3323/4885
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 PYGB 3576/4885GAA 1616/4885CA12 2752/4885

“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.

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