SCHEMBL6449892

SCHEMBL6449892

CCCCN(CC)C(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
HTR2A P28223 2/20 0.39
HRH1 P35367 2/20 0.39
PGR P06401 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
KCNH2 Q12809 1/20 0.39
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38
ACE2 Q9BYF1 1/20 0.37
GPR84 Q9NQS5 3/20 0.36
FFAR1 O14842 1/20 0.36
MAPT P10636 1/20 0.35
LCK P06239 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
SCHEMBL28518568 0.92 ACE2 (0.43) ACE2GPR84FFAR1MAPTLCK
SCHEMBL28703780 0.92 ACE2 (0.43) ACE2GPR84FFAR1MAPTLCK
SCHEMBL28703782 0.92 ACE2 (0.43) ACE2GPR84FFAR1MAPTLCK
SCHEMBL28856645 0.91 MMP1 (0.42) CA12CA1CA9MMP1MMP2
SCHEMBL28856644 0.91 MMP1 (0.42) CA12CA1CA9MMP1MMP2
SCHEMBL3200413 0.87 HTR2A (0.41) CA12CA9HTR2AHRH1PGR
SCHEMBL7904494 0.87 HTR2A (0.41) CA12CA9HTR2AHRH1PGR
SCHEMBL8524074 0.85 ACE2 (0.42) CA2MAPK1ACE2GPR84FFAR1
SCHEMBL10973416 0.85 ACE2 (0.42) CA2MAPK1ACE2GPR84FFAR1
SCHEMBL8523775 0.85 ACE2 (0.42) CA2MAPK1ACE2GPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872401-B2 Cosmetic/dermatological compositions comprising a tetrahydrocurcuminoid and an amide oil L'OREAL (FR) 2005-03-29 US disclosed
US-20040009200-A1 Cosmetic/dermatological compositions comprising a tetrahydrocurcuminoid and an amide oil SOCIETE L'OREAL S.A. (FR) 2004-01-15 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-20040009200-A1 Cosmetic/dermatological compositions comprising a tetrahydrocurcuminoid and an amide oil KRT18, DHCR24, FABP4 CA12 3894/4885CA1 3726/4885CA9 4149/4885

“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.