SCHEMBL1612684

SCHEMBL1612684

CCCCN(C(=O)O)C1CC(O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
ALOX5 P09917 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
TRPV1 Q8NER1 4/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
CYP3A4 P08684 1/20 0.32
USP2 O75604 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
PTBP1 P26599 1/20 0.31
AKR1B1 P15121 1/20 0.30

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
SCHEMBL1932588 0.84 L3MBTL1 (0.41) L3MBTL1CA12CA1CA9MMP1
SCHEMBL6631588 0.80 OPRM1 (0.39) L3MBTL1CA12CA1CA9TRPM8
SCHEMBL5510945 0.78 L3MBTL1 (0.42) L3MBTL1
SCHEMBL1613958 0.77 L3MBTL1 (0.34) L3MBTL1MMP1MMP3TRPM8SIGMAR1
SCHEMBL3818321 0.76 SLC6A4 (0.44) L3MBTL1SIGMAR1
SCHEMBL13736459 0.75 L3MBTL1 (0.35) L3MBTL1CA12CA1CA9CYP3A4
SCHEMBL28246290 0.74 SLC6A2 (0.47)
SCHEMBL1221462 0.74 SLC6A2 (0.47)
SCHEMBL5027243 0.74 L3MBTL1 (0.39) L3MBTL1CA12CA1CA9TRPM8
SCHEMBL3821799 0.74 SLC6A2 (0.47)

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-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 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-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP L3MBTL1 849/4885CA12 4884/4885CA1 4848/4885

“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.