SCHEMBL22004101

SCHEMBL22004101

CCC(CCN1CCCC1=O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.51
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 3/20 0.40
TSHR P16473 3/20 0.39
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL21207378 0.83 PIK3CD (0.55) PIK3CDKMT2AMEN1PKMLMNA
SCHEMBL19134337 0.81 PIK3CD (0.56) PIK3CDKMT2AMEN1PKMLMNA
SCHEMBL3430972 0.80 PIK3CD (0.66) PIK3CDKMT2AMEN1PKMLMNA
SCHEMBL7649491 0.79 PIK3CD (0.58) PIK3CDKMT2AMEN1PKMLMNA
SCHEMBL22600522 0.78 PIK3CD (0.53) PIK3CDKMT2AMEN1PKMLMNA
SCHEMBL5914541 0.78 PIK3CD (0.49) PIK3CDKMT2AMEN1PKMLMNA
SCHEMBL20886713 0.77 PIK3CD (0.56) PIK3CDKMT2AMEN1PKMLMNA
SCHEMBL7042848 0.77 PIK3CD (0.47) PIK3CDKMT2AMEN1PKMLMNA
SCHEMBL1978043 0.77 PIK3CD (0.51) PIK3CDKMT2AMEN1PKMLMNA
SCHEMBL7606104 0.77 LMNA (0.49) PIK3CDKMT2AMEN1PKMLMNA

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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG PIK3CD 827/4885KMT2A 1976/4885MEN1 3767/4885

“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.