SCHEMBL4099116

SCHEMBL4099116

CCOCCCNC(=N)NC

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
HPGD P15428 4/20 0.41
RAB9A P51151 3/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL4108570 0.90 TSHR (0.46) TSHRHPGDRAB9AHTTNPC1
SCHEMBL4111859 0.88 ALDH1A1 (0.37) TSHRHPGDRAB9AHTTNPC1
SCHEMBL4104968 0.86 TSHR (0.43) TSHRHPGDHTTSMN1; SMN2KMT2A
SCHEMBL4103946 0.86 EPHX2 (0.36) TSHRSMN1; SMN2ALDH1A1HSD17B10GAA
SCHEMBL4093922 0.85 MAPT (0.42) TSHRHTTKMT2AHSD17B10
SCHEMBL4093404 0.84 MEN1 (0.37) TSHRHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL4095312 0.84 MEN1 (0.37) TSHRHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL4093599 0.83 MEN1 (0.46) HTTKMT2A
SCHEMBL4099120 0.79 TSHR (0.43) TSHRHPGDRAB9AHTTNPC1
SCHEMBL4098830 0.79 ALDH1A1 (0.50) TSHRSMN1; SMN2ALDH1A1GAA

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 TSHR 1694/4885HPGD 608/4885RAB9A 2870/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 TSHR 3766/4885HPGD 1282/4885RAB9A 1539/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 TSHR 3770/4885HPGD 885/4885RAB9A 2224/4885
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 TSHR 1691/4885HPGD 539/4885RAB9A 1450/4885

“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.