SCHEMBL4111817

SCHEMBL4111817

CCOCCOCCOCCN=C(N)N

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.39
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
TSHR P16473 1/20 0.37
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
DHPS P49366 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL2730996 1.00 MEN1 (0.41) MEN1KMT2AALDH1A1NOS3NOS1
Water SCHEMBL3262698 0.98 MEN1 (0.40) MEN1KMT2AALDH1A1NOS3NOS1
Hydrochloric Acid SCHEMBL1479729 0.98 MEN1 (0.40) MEN1KMT2AALDH1A1NOS3NOS1
Hydrochloric Acid SCHEMBL17156891 0.98 MEN1 (0.40) MEN1KMT2AALDH1A1NOS3NOS1
SCHEMBL1427854 0.95
Hydrochloric Acid SCHEMBL28648293 0.93 MEN1 (0.43) MEN1KMT2AALDH1A1NOS3NOS1
Sulfuric Acid SCHEMBL11367009 0.85 NPSR1 (0.49) MEN1KMT2AALDH1A1NOS3NOS1
SCHEMBL6938637 0.82 NOS1 (0.37) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL4103964 0.82 MEN1 (0.52) MEN1KMT2APRSS1PRSS2PRSS3
SCHEMBL4094464 0.82 NOS1 (0.37) MEN1KMT2ANOS3NOS1NOS2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112218620-A Treatment of cancer by guanidine salt derivatives 优卡健康有限公司 2021-01-12 CN disclosed
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 322/4885ALDH1A1 1963/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 MEN1 294/4885KMT2A 555/4885ALDH1A1 1279/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 MEN1 237/4885KMT2A 949/4885ALDH1A1 1073/4885
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 665/4885ALDH1A1 1610/4885

“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.