SCHEMBL26865987

SCHEMBL26865987

CC(C)NCCOCC(=O)NCCCC(=O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.35
ADRB2 P07550 5/20 0.34
ADRB1 P08588 5/20 0.34
GLP1R P43220 5/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FAAH O00519 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RECQL P46063 1/20 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
SCHEMBL26818481 0.97 MEN1 (0.37) TSHRALDH1A1ADRB2ADRB1GLP1R
SCHEMBL26866001 0.87 TSHR (0.38) TSHRALDH1A1ADRB2ADRB1GLP1R
SCHEMBL23446933 0.84 MEN1 (0.38) TSHRALDH1A1GLP1RFAAHMEN1
SCHEMBL23872011 0.84 MEN1 (0.44) ADRB2GLP1RKDM4ECYP1A2CYP2D6
SCHEMBL21925758 0.83 GLP1R (0.39) TSHRADRB2ADRB1GLP1RKDM4E
SCHEMBL25963095 0.82 TSHR (0.42) TSHRALDH1A1ADRB2ADRB1GLP1R
SCHEMBL26865990 0.82 TSHR (0.39) TSHRALDH1A1ADRB2ADRB1GLP1R
SCHEMBL24608219 0.81 KDM4E (0.40) ALDH1A1ADRB2KDM4ECYP1A2CYP2D6
SCHEMBL26866008 0.81 GLP1R (0.44) TSHRALDH1A1GLP1RCYP1A2CYP2D6
SCHEMBL26865995 0.80 MEN1 (0.41) TSHRADRB2ADRB1GLP1RKDM4E

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-20230372508-A1 LINKERS COUPLING FUNCTIONAL LIGANDS TO MACROMOLECULES OLIX US, INC. 2023-11-23 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-20230372508-A1 LINKERS COUPLING FUNCTIONAL LIGANDS TO MACROMOLECULES DNPEP, LNPEP, FGB TSHR 2237/4885ALDH1A1 1942/4885ADRB2 3010/4885

“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.