SCHEMBL6474908

SCHEMBL6474908

O=C(O)C(CCCCCCCl)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.39
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 1/20 0.38
MAPT P10636 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
GSR P00390 1/20 0.34
ENPEP Q07075 1/20 0.34
CPB2 Q96IY4 2/20 0.34
ACE2 Q9BYF1 1/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RNPEP Q9H4A4 1/20 0.33
DDAH1 O94760 1/20 0.33
FOLH1 Q04609 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL5855808 1.00 TBXAS1 (0.39) TBXAS1GPR84FFAR1MAPTLCK
SCHEMBL5856024 0.97 TBXAS1 (0.36) TBXAS1GPR84FFAR1MAPTLCK
SCHEMBL4128716 0.89 ENPEP (0.37) TBXAS1GPR84GSRENPEPTSHR
SCHEMBL30018584 0.86 GPR84 (0.46) TBXAS1GPR84FFAR1MAPTLCK
SCHEMBL9009694 0.86 GPR84 (0.46) TBXAS1GPR84FFAR1MAPTLCK
SCHEMBL30018402 0.86 GPR84 (0.46) TBXAS1GPR84FFAR1MAPTLCK
SCHEMBL28261795 0.86 GPR84 (0.46) TBXAS1GPR84FFAR1MAPTLCK
SCHEMBL3613866 0.86 GPR84 (0.46) TBXAS1GPR84FFAR1MAPTLCK
SCHEMBL21073899 0.86 GPR84 (0.46) TBXAS1GPR84FFAR1MAPTLCK
SCHEMBL12851496 0.83 GSR (0.43) TBXAS1GPR84FFAR1MAPTLCK

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-6916947-B2 Method of producing amino carboxylic acids DEGUSSA AG (DE) 2005-07-12 US disclosed
US-20030120084-A1 Method of producing amino carboxylic acids DEGUSSA AG 2003-06-26 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-20030120084-A1 Method of producing amino carboxylic acids CA1, CA3, CA13 TBXAS1 4605/4885GPR84 1357/4885FFAR1 436/4885

“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.