SCHEMBL4097875

SCHEMBL4097875

CCCCCCCCCCN(CCCCCCCCCC)C(=N)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA9 Q16790 2/20 0.50
SPHK2 Q9NRA0 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
CA2 P00918 1/20 0.50
GRIN2D O15399 4/20 0.47
GRIN3B O60391 4/20 0.47
GRIN1 Q05586 4/20 0.47
GRIN2A Q12879 4/20 0.47
GRIN2B Q13224 4/20 0.47
GRIN2C Q14957 4/20 0.47
GRIN3A Q8TCU5 4/20 0.47
MGLL Q99685 1/20 0.45
DNM1 Q05193 4/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
NOS3 P29474 1/20 0.38

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
SCHEMBL1792839 1.00 CA12 (0.50) CA12CA1CA9SPHK2SPHK1
SCHEMBL9757960 1.00 CA12 (0.50) CA12CA1CA9SPHK2SPHK1
SCHEMBL1796035 1.00 CA12 (0.50) CA12CA1CA9SPHK2SPHK1
SCHEMBL2925438 1.00 CA12 (0.50) CA12CA1CA9SPHK2SPHK1
SCHEMBL1795316 1.00 CA12 (0.50) CA12CA1CA9SPHK2SPHK1
SCHEMBL1792845 1.00 CA12 (0.50) CA12CA1CA9SPHK2SPHK1
SCHEMBL1795318 1.00 CA12 (0.50) CA12CA1CA9SPHK2SPHK1
SCHEMBL1796039 1.00 CA12 (0.50) CA12CA1CA9SPHK2SPHK1
SCHEMBL8896468 1.00 CA12 (0.50) CA12CA1CA9SPHK2SPHK1
SCHEMBL11327565 1.00 CA12 (0.50) CA12CA1CA9SPHK2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487826-A EXCELLENT SHELF LIFE AND HEAT SENSITIVITY TOPPAN PRINTING CO., LTD. (JP) 1984-12-11 US claimed
JP-62035876-A None JP disclosed
CN-102791798-B Heat-resistant aging polymeric amide BASF SE (DE) 2015-09-09 CN disclosed
CN-102666667-B Functionalized highly branched melamine-polyamine polymers BASF SE 2015-03-04 CN disclosed
CN-102066451-B Hyperbranched polymers and oligomers containing terminal amino groups as curing agents for epoxy resins BASF SE 2014-08-06 CN disclosed
CN-102791798-A Polyamides resistant to hot ageing BASF SE 2012-11-21 CN disclosed
CN-102666667-A Functionalized highly branched melamine-polyamine polymers BASF SE 2012-09-12 CN disclosed
CN-102066451-A Hyperbranched polymers and oligomers containing terminal amino groups as curing agents for epoxy resins BASF SE 2011-05-18 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
JP-S6235876-A PHOTO-FIXABLE TYPE THERMAL RECORDING MEDIUM TOMOEGAWA PAPER CO LTD 1987-02-16 JP disclosed
EP-0084890-B1 DIAZOTYPE HEAT DEVELOPMENT RECORDING MEDIUM Toppan Printing Co., Ltd. (JP) 1986-05-21 EP disclosed
US-4487826-A EXCELLENT SHELF LIFE AND HEAT SENSITIVITY TOPPAN PRINTING CO., LTD. (JP) 1984-12-11 US disclosed
EP-0084890-A1 Diazotype heat development recording medium Toppan Printing Co., Ltd. (JP) 1983-08-03 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 CA12 2835/4885CA1 3081/4885CA9 1622/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 CA12 3511/4885CA1 3572/4885CA9 1516/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 CA12 3323/4885CA1 3665/4885CA9 2125/4885
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 CA12 2752/4885CA1 2285/4885CA9 1279/4885

“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.