SCHEMBL5582408

SCHEMBL5582408

CCCCC(=O)CC(O)CC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
GPR84 Q9NQS5 4/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
FFAR1 O14842 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
SCHEMBL18684491 0.86 CES2 (0.39) CES2CES1TRPV1ALDH1A1GPR84
SCHEMBL14533069 0.84 GPR84 (0.53) CES2CES1TRPV1GPR84FFAR4
SCHEMBL10765419 0.84 GPR84 (0.53) CES2CES1TRPV1GPR84FFAR4
SCHEMBL8594270 0.81 CES1 (0.48) CES2CES1ALDH1A1TP53GPR84
SCHEMBL4060468 0.81 PSMB5 (0.41) CES2CES1TRPV1ALDH1A1TP53
SCHEMBL29049624 0.80 SLC22A6 (0.38) GPR84MAPT
SCHEMBL25674836 0.79 TRPV1 (0.39) CES2CES1TRPV1ALDH1A1TP53
SCHEMBL21596744 0.79 CES1 (0.46) CES2CES1ALDH1A1TP53MAPT
Valeric Acid SCHEMBL1124409 0.78 GPR84 (0.57) ALDH1A1GPR84KMT2AFFAR4FFAR1
SCHEMBL6064469 0.78 GPR84 (0.52) CES2CES1TRPV1GPR84MAPT

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-20070105197-A1 Nucleic acid fragments encoding nitrile hydratase and amidase enzymes from Comamonas testosteroni 5-MGAM-4D and recombinant organisms expressing those enzymes useful for the production of amides and acids PAYNE MARK S 2007-05-10 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-20070105197-A1 Nucleic acid fragments encoding nitrile hydratase and amidase enzymes from Comamonas testosteroni 5-MGAM-4D and recombinant organisms expressing those enzymes useful for the production of amides and acids NAAA, MGAM2, MGAM CES2 1209/4885CES1 377/4885TRPV1 4188/4885

“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.