SCHEMBL5286858

SCHEMBL5286858

O=C(O)Cc1coc(C2CCCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
ADCY1 Q08828 1/20 0.35
CPT1A P50416 2/20 0.34
CPT2 P23786 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 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
SCHEMBL12985316 0.92 CCNE1 (0.39) HPGDCCNE1CDK2ALDH1A1LMNA
SCHEMBL15856269 0.85 USP2 (0.38) ADCY1S1PR1S1PR5POLBUSP2
SCHEMBL4905785 0.80 HPGD (0.43) HPGDCCNE1CDK2ALDH1A1SMN1; SMN2
SCHEMBL4903998 0.78 ALDH1A1 (0.34) HPGDALDH1A1POLBLMNASMN1; SMN2
SCHEMBL5283147 0.77 HPGD (0.38) HPGDCCNE1CDK2ADCY1CPT1A
SCHEMBL5725170 0.77 ALDH1A1 (0.36) ALDH1A1POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL5573667 0.77 ALDH1A1 (0.36) ALDH1A1POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL15639466 0.75 KDM4E (0.34) HPGDCCNE1CDK2ALDH1A1POLB
SCHEMBL4900718 0.74 NPC1 (0.38) ALDH1A1POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL13172748 0.72 CCNE1 (0.42) HPGDCCNE1CDK2ALDH1A1LMNA

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 HPGD 1825/4885CCNE1 3823/4885CDK2 4270/4885

“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.