SCHEMBL5328276

SCHEMBL5328276

CCCn1nc(CC(=O)OCC)cc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 3/20 0.47
RECQL P46063 2/20 0.47
CYP1A2 P05177 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
FPR1 P21462 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMPD1 P17405 1/20 0.46

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
SCHEMBL5966771 0.93 SMPD1 (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2TSHR
SCHEMBL5967128 0.91 SMPD1 (0.57) ALDH1A1KDM4EHPGDSMN1; SMN2TSHR
SCHEMBL5322207 0.90 RECQL (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2TSHR
SCHEMBL5966699 0.87 KDM4E (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2TSHR
SCHEMBL5966736 0.85 NR1H2 (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2TSHR
SCHEMBL5414207 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2TSHR
SCHEMBL23410477 0.74 PTGS2 (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2POLB
SCHEMBL24408917 0.74 NR1H4 (0.54) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL5328712 0.74 NPC1 (0.53) ALDH1A1KDM4EHPGDTSHRRECQL
SCHEMBL7383595 0.73 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2TSHR

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 ALDH1A1 2972/4885KDM4E 4305/4885HPGD 1825/4885

“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.