SCHEMBL6843843

SCHEMBL6843843

CCCC1(F)CCN(C(=O)OC(C)(C)C)C(C(=O)OC)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
PTPN1 P18031 1/20 0.35
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
FKBP1A P62942 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC8 Q9BY41 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
IMPDH2 P12268 3/20 0.33
CCR2 P41597 1/20 0.33
NPC1 O15118 1/20 0.33
EPHX2 P34913 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL4872655 1.00 NR1H2 (0.37) NR1H2NR1H3SMN1; SMN2PTPN1CYP3A4
SCHEMBL4870352 0.88 HDAC8 (0.39) NR1H2NR1H3SMN1; SMN2PTPN1CYP3A4
SCHEMBL5224049 0.88 HSD17B10 (0.40) NR1H2SMN1; SMN2HSD17B10HDAC8MEN1
SCHEMBL4864356 0.84 NR1H2 (0.38) NR1H2NR1H3SMN1; SMN2PTPN1CYP3A4
SCHEMBL10269862 0.82 NR1H2 (0.41) NR1H2NR1H3SMN1; SMN2PTPN1HSD17B10
SCHEMBL2127763 0.82 NR1H2 (0.41) NR1H2NR1H3SMN1; SMN2PTPN1HSD17B10
SCHEMBL30272143 0.82 NR1H2 (0.41) NR1H2NR1H3SMN1; SMN2PTPN1HSD17B10
SCHEMBL17973835 0.81 HDAC8 (0.38) NR1H2NR1H3SMN1; SMN2PTPN1CYP3A4
SCHEMBL5519647 0.81 HDAC8 (0.37) NR1H2NR1H3SMN1; SMN2PTPN1CYP3A4
SCHEMBL4871852 0.81 HSD17B10 (0.39) SMN1; SMN2HSD17B10HDAC8MEN1KMT2A

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-20040230046-A1 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. 2004-11-18 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-20040230046-A1 Lincomycin derivatives possessing antibacterial activity NRDC, NISCH, CLSPN NR1H2 3696/4885NR1H3 3855/4885SMN1; SMN2 3897/4885

“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.