SCHEMBL21297380

SCHEMBL21297380

CCC(=O)C1CCC(CNC(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
EPHX1 P07099 2/20 0.35
KMT2A Q03164 4/20 0.35
SIGMAR1 Q99720 1/20 0.34
TP53 P04637 1/20 0.33
PARP1 P09874 1/20 0.33
SAT1 P21673 1/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 3/20 0.32
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL18739823 1.00 TDP1 (0.35) TDP1EPHX1KMT2ASIGMAR1TP53
SCHEMBL13282223 0.83 TDP1 (0.36) TDP1EPHX1KMT2ASIGMAR1TP53
SCHEMBL9911530 0.83 PLG (0.48) TDP1EPHX1KMT2ASIGMAR1MEN1
SCHEMBL12871182 0.83 PLG (0.48) TDP1EPHX1KMT2ASIGMAR1MEN1
SCHEMBL12674307 0.83 TDP1 (0.36) TDP1EPHX1KMT2ASIGMAR1TP53
SCHEMBL8057761 0.81 TDP1 (0.35) TDP1EPHX1KMT2ASIGMAR1TP53
SCHEMBL13999457 0.81 TDP1 (0.44) TDP1EPHX1KMT2ASIGMAR1PARP1
SCHEMBL27014678 0.81 TDP1 (0.35) TDP1EPHX1KMT2ASIGMAR1TP53
SCHEMBL12667395 0.81 TDP1 (0.35) TDP1EPHX1KMT2ASIGMAR1TP53
SCHEMBL20032107 0.80 EPHX1 (0.42) TDP1EPHX1KMT2ASIGMAR1TP53

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-10392428-B2 GLP-1 derivatives and uses thereof NOVO NORDISK A/S (DK) 2019-08-27 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-10392428-B2 GLP-1 derivatives and uses thereof GLP1R, GIPR, VIP TDP1 4063/4885EPHX1 3312/4885KMT2A 3574/4885

“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.