SCHEMBL13034816

SCHEMBL13034816

CC(C)CC(CO)NC(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
MME P08473 4/20 0.40
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CNR1 P21554 3/20 0.38
ALDH1A1 P00352 2/20 0.36
KISS1R Q969F8 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
ANPEP P15144 1/20 0.34
DNPEP Q9ULA0 1/20 0.34

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
SCHEMBL14269010 1.00 TAS1R3 (0.40) TAS1R3TAS1R1MMECYP3A4MAPK1
SCHEMBL13035554 1.00 TAS1R3 (0.40) TAS1R3TAS1R1MMECYP3A4MAPK1
SCHEMBL7990837 0.86 CYP3A4 (0.43) MMECYP3A4MAPK1CNR1CNR2
SCHEMBL4341862 0.82 TAS1R3 (0.42) TAS1R3TAS1R1MMECNR1ALDH1A1
SCHEMBL9572303 0.82 SLC7A5 (0.47) TAS1R3TAS1R1MMECYP3A4MAPK1
SCHEMBL19439391 0.82 ANPEP (0.42) TAS1R3TAS1R1MMECYP3A4MAPK1
SCHEMBL30952371 0.82 USP2 (0.47) TAS1R3TAS1R1MMECYP3A4MAPK1
SCHEMBL25839087 0.82 CYP3A4 (0.36) MMECYP3A4MAPK1CNR1CNR2
SCHEMBL25842102 0.82 CYP3A4 (0.36) MMECYP3A4MAPK1CNR1CNR2
SCHEMBL10079223 0.80 MMP1 (0.40) TAS1R3TAS1R1MMECYP3A4MAPK1

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
EP-4275759-A2 QUINOLINE DERIVATIVES AS CHROMOBOX (CBX) PROTEIN INHIBITORS FOR TREATING CANCER Dana-Farber Cancer Institute, Inc. (US) 2023-11-15 EP disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 TAS1R3 2683/4885TAS1R1 1652/4885MME 4616/4885

“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.