SCHEMBL23601923

SCHEMBL23601923

CC(C)(C)OC(=O)CCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCONC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.37
CA2 P00918 7/20 0.37
TLR2 O60603 2/20 0.37
TLR1 Q15399 2/20 0.37
TSHR P16473 1/20 0.36
PLK1 P53350 3/20 0.35
CAPN1 P07384 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EPHX2 P34913 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.32
CA12 O43570 3/20 0.32
CA9 Q16790 3/20 0.32
CA4 P22748 2/20 0.32
CA14 Q9ULX7 2/20 0.32

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
SCHEMBL30293683 0.87 TDP1 (0.45) CA1CA2TLR2TLR1TSHR
SCHEMBL15084748 0.86 TDP1 (0.41) CA1CA2PLK1TDP1MAOA
SCHEMBL20467704 0.85 GLP1R (0.41) TLR2TLR1PLK1CAPN1TDP1
SCHEMBL18122070 0.83 TDP1 (0.48) CA1CA2TLR2TLR1PLK1
SCHEMBL29975223 0.83 TLR2 (0.41) TLR2TLR1TSHREPHX2MEN1
SCHEMBL20450571 0.83 GLP1R (0.43) TLR2TLR1PLK1CAPN1TDP1
SCHEMBL20450568 0.83 GLP1R (0.43) TLR2TLR1PLK1CAPN1TDP1
SCHEMBL13498696 0.82 TDP1 (0.42) CA1CA2TSHRCAPN1TDP1
SCHEMBL30594267 0.82 TSHR (0.41) CA1CA2TLR2TLR1TSHR
SCHEMBL30748709 0.82 TSHR (0.53) CA1CA2TLR2TLR1TSHR

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-20210196791-A1 MODIFIED RELAXIN POLYPEPTIDES COMPRISING A PHARMACOKINETIC ENHANCER AND USES THEREOF BRISTOL MYERS SQUIBB CO (US) 2021-07-01 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-20210196791-A1 MODIFIED RELAXIN POLYPEPTIDES COMPRISING A PHARMACOKINETIC ENHANCER AND USES THEREOF RXFP2, RXFP1, RXFP4 CA1 4164/4885CA2 2342/4885TLR2 1114/4885

“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.