SCHEMBL4264879

SCHEMBL4264879

N=C(N)NCCCCCOP(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.48
LPAR2 Q9HBW0 7/20 0.48
LPAR1 Q92633 5/20 0.48
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.41
S1PR2 O95136 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR5 Q9H228 3/20 0.41
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ENPP2 Q13822 1/20 0.35

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
SCHEMBL4275598 1.00 LPAR3 (0.48) LPAR3LPAR2LPAR1MEN1CYP1A2
SCHEMBL4264382 0.98 LPAR3 (0.46) LPAR3LPAR2LPAR1MEN1CYP1A2
SCHEMBL4267249 0.93 LPAR3 (0.42) LPAR3LPAR2LPAR1MEN1CYP1A2
SCHEMBL23928730 0.86 ALOX15 (0.41) LPAR3LPAR2LPAR1MEN1CYP1A2
SCHEMBL4273613 0.85 LPAR2 (0.39) LPAR3LPAR2LPAR1MEN1CYP1A2
SCHEMBL29904263 0.80 ALOX15 (0.39) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL19926726 0.78 LPAR3 (0.52) LPAR3LPAR2LPAR1S1PR2S1PR1
SCHEMBL6514099 0.78 LPAR3 (0.52) LPAR3LPAR2LPAR1S1PR2S1PR1
SCHEMBL19927107 0.78 LPAR3 (0.52) LPAR3LPAR2LPAR1S1PR2S1PR1
SCHEMBL6935672 0.77 MEN1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15

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 5 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
US-5939078-A TREATING WRINKLES BY ADMINISTERING TO THE SKIN A GUANIDINE DERIVATIVE KAO CORPORATION (JP) 1999-08-17 US 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 LPAR3 1270/4885LPAR2 1765/4885LPAR1 1058/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 LPAR3 4600/4885LPAR2 4756/4885LPAR1 4431/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 LPAR3 4069/4885LPAR2 4554/4885LPAR1 3842/4885
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 LPAR3 1947/4885LPAR2 1974/4885LPAR1 1560/4885

“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.