SCHEMBL21707447

SCHEMBL21707447

CCCCCCCCCCCC(=O)NC(CC(N)=O)C(=O)NCCCO

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 4/20 0.54
LPAR1 Q92633 2/20 0.53
TLR2 O60603 1/20 0.52
GRIA1 P42261 1/20 0.47
NOD1 Q9Y239 4/20 0.47
EPHX2 P34913 3/20 0.46
MEN1 O00255 1/20 0.45
FAAH O00519 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
DNM1 Q05193 2/20 0.44
NAAA Q02083 1/20 0.44
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
NMT2 O60551 1/20 0.43
NMT1 P30419 1/20 0.43
GLP1R P43220 1/20 0.43

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
SCHEMBL21707446 0.95 LPAR3 (0.59) LPAR3LPAR1TLR2GRIA1NOD1
SCHEMBL21724488 0.90 LPAR3 (0.54) LPAR3LPAR1TLR2NOD1EPHX2
SCHEMBL27104455 0.90 LPAR3 (0.54) LPAR3LPAR1TLR2NOD1EPHX2
SCHEMBL21724702 0.90 LPAR3 (0.54) LPAR3LPAR1TLR2NOD1EPHX2
SCHEMBL21724489 0.90 LPAR3 (0.54) LPAR3LPAR1TLR2NOD1EPHX2
SCHEMBL24612765 0.90 GRIA1 (0.58) LPAR3LPAR1TLR2GRIA1SIRT6
SCHEMBL21724700 0.90 LPAR3 (0.54) LPAR3LPAR1TLR2NOD1EPHX2
SCHEMBL24612764 0.88 LPAR3 (0.53) LPAR3LPAR1TLR2GRIA1NOD1
SCHEMBL21724669 0.88 TLR2 (0.53) LPAR3LPAR1TLR2GRIA1NOD1
SCHEMBL21724668 0.88 TLR2 (0.53) LPAR3LPAR1TLR2GRIA1NOD1

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-20200048187-A1 LIPOPEPTIDE COMPOUNDS FOR THE TREATMENT OF PAIN DISORDERS UNIVERSITE DE MONTPELLIER (FR) 2020-02-13 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-20200048187-A1 LIPOPEPTIDE COMPOUNDS FOR THE TREATMENT OF PAIN DISORDERS VIP, FABP2, TRPV1 LPAR3 132/4885LPAR1 104/4885TLR2 252/4885

“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.