SCHEMBL5281382

SCHEMBL5281382

CC(C)(C)OC(=O)Cn1ncc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 4/20 0.52
TSHR P16473 3/20 0.52
HSD17B10 Q99714 3/20 0.52
KMO O15229 1/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
RECQL P46063 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.42
SCN9A Q15858 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41

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
SCHEMBL4300707 0.84 NPC1 (0.56) KDM4EALDH1A1POLBTSHRHSD17B10
SCHEMBL28803196 0.82 SYK (0.44) KDM4EALDH1A1POLBTSHRHSD17B10
SCHEMBL30188516 0.81 KMO (0.43) KDM4EALDH1A1KMO
SCHEMBL23055588 0.81 KMO (0.55) KDM4EALDH1A1KMO
SCHEMBL24782853 0.81 KMO (0.45) KDM4EALDH1A1POLBTSHRHSD17B10
SCHEMBL3626813 0.81 HSD17B10 (0.67) KDM4EALDH1A1POLBTSHRHSD17B10
SCHEMBL31602755 0.81 HSD17B10 (0.67) KDM4EALDH1A1POLBTSHRHSD17B10
SCHEMBL11985503 0.81 KMO (0.55) ALDH1A1POLBTSHRHSD17B10KMO
SCHEMBL15157126 0.81 KDM4E (0.44) KDM4EALDH1A1POLBNPC1RAB9A
SCHEMBL15859288 0.80 NPC1 (0.55) POLBTSHRHSD17B10KMONPC1

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 KDM4E 4305/4885ALDH1A1 2972/4885POLB 3888/4885

“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.