SCHEMBL4093494

SCHEMBL4093494

CN(C(=N)N)C1CCCCC1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
EPHX1 P07099 1/20 0.37
PEPD P12955 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
SCHEMBL4093715 0.81 TAS1R3 (0.35) EPHX1
SCHEMBL11453674 0.81 EPHX1 (0.40) ALDH1A1LMNAEPHX1
SCHEMBL11453672 0.81 EPHX1 (0.40) ALDH1A1LMNAEPHX1
SCHEMBL11453673 0.81 EPHX1 (0.40) ALDH1A1LMNAEPHX1
Hydrochloric Acid SCHEMBL11467862 0.79 PEPD (0.39) ALDH1A1LMNAEPHX1PEPD
Hydrochloric Acid SCHEMBL11467864 0.79 PEPD (0.39) ALDH1A1LMNAEPHX1PEPD
Hydrochloric Acid SCHEMBL11467863 0.79 PEPD (0.39) ALDH1A1LMNAEPHX1PEPD
SCHEMBL4101091 0.78 TAS1R3 (0.37) ALDH1A1EPHX1
SCHEMBL11495481 0.77 PEPD (0.41) ALDH1A1LMNAEPHX1PEPD
SCHEMBL11457006 0.77 PEPD (0.41) ALDH1A1LMNAEPHX1PEPD

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 ALDH1A1 1963/4885LMNA 117/4885EPHX1 3319/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 ALDH1A1 1279/4885LMNA 132/4885EPHX1 2311/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 ALDH1A1 1073/4885LMNA 85/4885EPHX1 2359/4885
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 ALDH1A1 1610/4885LMNA 129/4885EPHX1 3675/4885

“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.