SCHEMBL4100588

SCHEMBL4100588

CN=C(Nc1c(C)cc(C)cc1C)NC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LCK P06239 3/20 0.41
HTT P42858 1/20 0.39
RAPGEF4 Q8WZA2 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NLRP3 Q96P20 1/20 0.34
TP53 P04637 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
SCHEMBL4100586 1.00 KDM4E (0.42) KDM4EALDH1A1LCKHTTRAPGEF4
SCHEMBL4101049 0.72 HPGD (0.40) KDM4ELCKPOLBHPGD
SCHEMBL4101047 0.72 HPGD (0.40) KDM4ELCKPOLBHPGD
SCHEMBL4103879 0.72 RAPGEF4 (0.33) KDM4EALDH1A1LCKHTTRAPGEF4
SCHEMBL4104279 0.68 MEN1 (0.40)
SCHEMBL4099870 0.67 POLB (0.44) ALDH1A1LCKLMNAPOLBL3MBTL1
SCHEMBL4099866 0.67 POLB (0.44) ALDH1A1LCKLMNAPOLBL3MBTL1
SCHEMBL4094027 0.66 GRIN2D (0.56) ALDH1A1LCKLMNAPOLBL3MBTL1
SCHEMBL4094025 0.66 GRIN2D (0.56) ALDH1A1LCKLMNAPOLBL3MBTL1
SCHEMBL5982005 0.65 RAPGEF4 (0.55) ALDH1A1HTTRAPGEF4

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 KDM4E 308/4885ALDH1A1 1963/4885LCK 2550/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 KDM4E 251/4885ALDH1A1 1279/4885LCK 1030/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 KDM4E 419/4885ALDH1A1 1073/4885LCK 1365/4885
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 KDM4E 1258/4885ALDH1A1 1610/4885LCK 1264/4885

“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.