SCHEMBL1005232

SCHEMBL1005232

COC(=O)C(=O)C1CCCCC1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
MCL1 Q07820 1/20 0.46
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP1A2 P05177 1/20 0.35
RECQL P46063 1/20 0.35
TLR4 O00206 1/20 0.33

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
SCHEMBL7614074 0.94 MAPK1 (0.45) MAPK1MCL1KDM4EHSD17B10CA1
SCHEMBL3171 0.81 MAPK1 (0.54) MAPK1MCL1KDM4EHSD17B10CA1
SCHEMBL20303983 0.81 MAPK1 (0.54) MAPK1MCL1KDM4EHSD17B10CA1
SCHEMBL7305358 0.81 MAPK1 (0.54) MAPK1MCL1KDM4EHSD17B10CA1
SCHEMBL181879 0.81 CYP2D6 (0.48) MAPK1MCL1KDM4EHSD17B10CA1
SCHEMBL1149626 0.80 CYP2D6 (0.47) MAPK1MCL1KDM4EHSD17B10CA1
SCHEMBL10080626 0.80 CYP2D6 (0.47) MAPK1MCL1KDM4EHSD17B10CA1
SCHEMBL1615850 0.79 MAPK1 (0.53) MAPK1MCL1KDM4EHSD17B10CA1
SCHEMBL6248372 0.79 MAPK1 (0.53) MAPK1MCL1KDM4EHSD17B10CA1
SCHEMBL3767660 0.79 MAPK1 (0.53) MAPK1MCL1KDM4EHSD17B10CA1

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-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 MAPK1 797/4885MCL1 1105/4885KDM4E 3157/4885

“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.