SCHEMBL22181024

SCHEMBL22181024

CCCCCCC[C@@H](O)CC(=O)O[C@H](CCCCCCC)CC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
GPR84 Q9NQS5 4/20 0.43
CETP P11597 3/20 0.42
TRPV1 Q8NER1 1/20 0.42
TRPA1 O75762 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DAGLA Q9Y4D2 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL19439411 1.00 ALDH1A1 (0.45) ALDH1A1MEN1HPGDKMT2AGPR84
SCHEMBL31674543 0.92 GPR84 (0.51) ALDH1A1MEN1HPGDKMT2AGPR84
SCHEMBL6370572 0.92 GPR84 (0.51) ALDH1A1MEN1HPGDKMT2AGPR84
SCHEMBL20966571 0.92 GPR84 (0.51) ALDH1A1MEN1HPGDKMT2AGPR84
SCHEMBL15710472 0.92 GPR84 (0.51) ALDH1A1MEN1HPGDKMT2AGPR84
SCHEMBL6370981 0.92 GPR84 (0.51) ALDH1A1MEN1HPGDKMT2AGPR84
SCHEMBL22033713 0.92 GPR84 (0.51) ALDH1A1MEN1HPGDKMT2AGPR84
SCHEMBL6369826 0.90 ALDH1A1 (0.49) ALDH1A1MEN1HPGDKMT2AGPR84
SCHEMBL25981305 0.88 ALDH1A1 (0.45) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL31674546 0.87 ALDH1A1 (0.50) ALDH1A1MEN1HPGDKMT2ACETP

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-20200207799-A1 GLYCOLIPOPEPTIDE BIOSURFACTANTS CRODA INTERNATIONAL PLC (GB) 2020-07-02 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-20200207799-A1 GLYCOLIPOPEPTIDE BIOSURFACTANTS LYPLAL1, LNPEP, PHOSPHO1 ALDH1A1 4821/4885MEN1 3600/4885HPGD 3188/4885

“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.