SCHEMBL21787000

SCHEMBL21787000

CCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.49
EPHX1 P07099 1/20 0.48
GLP1R P43220 8/20 0.47
DNM1 Q05193 2/20 0.47
LPAR1 Q92633 2/20 0.46
LPAR2 Q9HBW0 2/20 0.46
ENPP2 Q13822 1/20 0.46
CASP2 P42575 1/20 0.45

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
SCHEMBL26032001 0.91 LPAR1 (0.44) FAAHEPHX1GLP1RDNM1LPAR1
SCHEMBL25067300 0.90 FAAH (0.59) FAAHGLP1RDNM1LPAR1LPAR2
SCHEMBL21575544 0.89 HPGD (0.43) GLP1R
SCHEMBL23879753 0.88 MEN1 (0.45) EPHX1GLP1RCASP2
SCHEMBL26031999 0.88 GLP1R (0.52) FAAHGLP1RLPAR1
SCHEMBL5163458 0.87 TLR2 (0.55) FAAHEPHX1CASP2
SCHEMBL13811075 0.87 FAAH (0.62) FAAHGLP1RDNM1LPAR1LPAR2
SCHEMBL7646590 0.87 FAAH (0.62) FAAHGLP1RDNM1LPAR1LPAR2
SCHEMBL7650140 0.87 FAAH (0.62) FAAHGLP1RDNM1LPAR1LPAR2
SCHEMBL7647954 0.87 FAAH (0.62) FAAHGLP1RDNM1LPAR1LPAR2

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-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 US disclosed
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 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 (2 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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT FAAH 4341/4885EPHX1 2734/4885GLP1R 4362/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 FAAH 4162/4885EPHX1 2524/4885GLP1R 4143/4885

“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.