SCHEMBL19134014

SCHEMBL19134014

CCCCCCCCCCCCCCON(OCCCCCCCCCCCCCC)C(=O)CC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
CES2 O00748 3/20 0.44
EPHX1 P07099 1/20 0.42
TSHR P16473 2/20 0.41
LPAR3 Q9UBY5 3/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR2 Q9HBW0 2/20 0.41
DGKA P23743 1/20 0.41
EP300 Q09472 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CES1 P23141 1/20 0.38

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
SCHEMBL17139819 0.98 NAAA (0.47) NAAACES2EPHX1TSHRLPAR3
SCHEMBL27385831 0.82 NAAA (0.48) NAAACES2EPHX1TSHRLPAR3
SCHEMBL27276996 0.75 CNR2 (0.46) CES2TSHRDGKACES1
SCHEMBL7777442 0.75 CNR2 (0.46) CES2TSHRDGKACES1
SCHEMBL17331211 0.75 CNR2 (0.46) CES2TSHRDGKACES1
SCHEMBL15703356 0.75 CNR2 (0.46) CES2TSHRDGKACES1
SCHEMBL4736351 0.75 CNR2 (0.46) CES2TSHRDGKACES1
SCHEMBL8388930 0.75 CNR2 (0.46) CES2TSHRDGKACES1
SCHEMBL27745285 0.75 CNR2 (0.46) CES2TSHRDGKACES1
SCHEMBL28424852 0.72 CES2 (0.50) CES2TSHRDGKACES1

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-11510988-B2 Targeting aminoacid lipids MERCK PATENT GMBH (DE) 2022-11-29 US disclosed
EP-2825156-B1 TARGETING AMINOACID LIPIDS MERCK PATENT GMBH (DE) 2017-07-26 EP 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-11510988-B2 Targeting aminoacid lipids PTDSS2, DNPEP, FABP1 NAAA 243/4885CES2 1847/4885EPHX1 398/4885

“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.