SCHEMBL4093404

SCHEMBL4093404

CCOCCOCCNC(=N)NC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 4/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4095312 1.00 MEN1 (0.37) MEN1KMT2AEPHX2ALDH1A1TSHR
SCHEMBL4111859 0.96 ALDH1A1 (0.37) MEN1KMT2AEPHX2ALDH1A1TSHR
SCHEMBL4093591 0.90 MEN1 (0.41) MEN1KMT2AEPHX2ALDH1A1TSHR
SCHEMBL4104836 0.85 ALDH1A1 (0.42) MEN1KMT2AEPHX2ALDH1A1TSHR
SCHEMBL4093535 0.84 MEN1 (0.37) MEN1KMT2AEPHX2ALDH1A1SMN1; SMN2
SCHEMBL4099116 0.84 TSHR (0.42) KMT2AALDH1A1TSHRHPGDNPC1
SCHEMBL4103973 0.84 MEN1 (0.37) MEN1KMT2AEPHX2ALDH1A1SMN1; SMN2
SCHEMBL18239182 0.82 TSHR (0.43) MEN1KMT2AEPHX2ALDH1A1TSHR
SCHEMBL6416875 0.82 MEN1 (0.36) MEN1KMT2ASMN1; SMN2
SCHEMBL4100493 0.82 TSHR (0.42) MEN1KMT2AALDH1A1TSHRTHRB

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 MEN1 261/4885KMT2A 322/4885EPHX2 3781/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 MEN1 294/4885KMT2A 555/4885EPHX2 2648/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 MEN1 237/4885KMT2A 949/4885EPHX2 2936/4885
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 MEN1 455/4885KMT2A 665/4885EPHX2 3448/4885

“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.