SCHEMBL6853243

SCHEMBL6853243

CCCCCCCCCCCCCCCCCCN(CCO)C(CCC)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.49
GPR84 Q9NQS5 5/20 0.42
FFAR1 O14842 1/20 0.42
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL29588540 0.93 NOD1 (0.53) NOD1GPR84FFAR1MAPTLCK
SCHEMBL28054290 0.90 GPR84 (0.48) NOD1GPR84FFAR1MAPTLCK
SCHEMBL30284495 0.90 NOD1 (0.51) NOD1GPR84FFAR1MAPTLCK
SCHEMBL31414280 0.90 GPR84 (0.48) NOD1GPR84FFAR1MAPTLCK
SCHEMBL21807140 0.86 FFAR4 (0.51) NOD1GPR84FFAR1PPARDTDP1
SCHEMBL29587787 0.86 NOD1 (0.53) NOD1GPR84FFAR1MAPTLCK
SCHEMBL30992333 0.86 NOD1 (0.53) NOD1GPR84FFAR1MAPTLCK
SCHEMBL30992334 0.86 NOD1 (0.53) NOD1GPR84FFAR1MAPTLCK
SCHEMBL9838350 0.86 CHRM1 (0.48) NOD1GPR84FFAR1MAPTLCK
SCHEMBL25364229 0.84 NOD1 (0.43) NOD1GPR84FFAR1MAPTLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040234470-A1 Personal product compositions comprising structured benefit agent premix or delivery vehicle and providing enhanced effect of optical modifier separate from structured benefit agent UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-11-25 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 (1 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-20040234470-A1 Personal product compositions comprising structured benefit agent premix or delivery vehicle and providing enhanced effect of optical modifier separate from structured benefit agent XPA, LMNA, CFB NOD1 2288/4885GPR84 1974/4885FFAR1 2448/4885

“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.