SCHEMBL4094844

SCHEMBL4094844

CNC(=N)NCCCCCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.60
PRMT1 Q99873 1/20 0.59
PLA2G2A P14555 1/20 0.50
MAPK1 P28482 1/20 0.49
EPHX2 P34913 10/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
PLA2G4A P47712 1/20 0.46
ALDH1A1 P00352 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
GPR84 Q9NQS5 1/20 0.43

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
SCHEMBL4092950 0.98 ADRA1A (0.57) ADRA1APRMT1PLA2G2AMAPK1EPHX2
SCHEMBL4099428 0.92 ADRA1A (0.48) ADRA1APRMT1PLA2G2AMAPK1EPHX2
SCHEMBL3194539 0.84 ECE1 (0.43) ADRA1APRMT1PLA2G2ATSHRLMNA
SCHEMBL23586705 0.83 ADRA1A (0.44) ADRA1APRMT1PLA2G2AMAPK1EPHX2
SCHEMBL19724074 0.82 ADRA1A (0.42) ADRA1APRMT1PLA2G2AMAPK1EPHX2
SCHEMBL4098735 0.81 EPHX2 (0.49) ADRA1AEPHX2TSHRLMNAALDH1A1
SCHEMBL4429695 0.80 PRMT1 (0.57) ADRA1APRMT1PLA2G2AMAPK1EPHX2
SCHEMBL5130092 0.80 PRMT1 (0.76) ADRA1APRMT1PLA2G2AMAPK1EPHX2
SCHEMBL21651045 0.80 PRMT1 (0.76) ADRA1APRMT1PLA2G2AMAPK1EPHX2
SCHEMBL24783899 0.80 ADRA1A (0.70) ADRA1APRMT1PLA2G2AMAPK1EPHX2

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 ADRA1A 2192/4885PRMT1 65/4885PLA2G2A 2009/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 ADRA1A 4764/4885PRMT1 371/4885PLA2G2A 2903/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 ADRA1A 4748/4885PRMT1 299/4885PLA2G2A 2088/4885
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 ADRA1A 2300/4885PRMT1 41/4885PLA2G2A 1896/4885

“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.