SCHEMBL6796641

SCHEMBL6796641

COc1ccc(C(OC2C(OC(C)=O)C3OC2C2C(=O)NC(=O)C32)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
CYP2D6 P10635 3/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC2A1 P11166 1/20 0.34
KIF11 P52732 5/20 0.34
SLC6A1 P30531 2/20 0.34
NPY2R P49146 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
SLC6A11 P48066 1/20 0.34
PTPN1 P18031 1/20 0.34
MAPT P10636 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
SCHEMBL6797097 0.86 EDNRA (0.40) SMN1; SMN2CYP2D6LMNAMAPK1HIF1A
SCHEMBL6797102 0.86 EDNRA (0.40) SMN1; SMN2CYP2D6LMNAMAPK1HIF1A
SCHEMBL6791347 0.85 SLC6A1 (0.35) TYMPSMN1; SMN2CYP2D6LMNAMAPK1
SCHEMBL6801773 0.84 PDPK1 (0.36) TYMPSMN1; SMN2ALDH1A1KMT2AKIF11
SCHEMBL25849144 0.83 ALDH1A1 (0.36) TYMPSMN1; SMN2LMNAMAPK1ALDH1A1
SCHEMBL25849145 0.80 EP300 (0.36) CYP2D6MAPK1MEN1ALDH1A1CYP2C9
SCHEMBL25849146 0.80 EP300 (0.36) CYP2D6MAPK1MEN1ALDH1A1CYP2C9
SCHEMBL23996822 0.74 MAPT (0.36) TYMPLMNAMAPK1MEN1ALDH1A1
SCHEMBL18356894 0.74 MAPT (0.36) TYMPLMNAMAPK1MEN1ALDH1A1
SCHEMBL30823423 0.74 KIF11 (0.37) MAPK1MEN1KMT2AKIF11SLC6A1

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-20040152905-A1 Universal building blocks and support media for synthesis of oligonucleotides and their analogs ISIS PHARMACEUTICALS, INC. 2004-08-05 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-20040152905-A1 Universal building blocks and support media for synthesis of oligonucleotides and their analogs POLM, POLRMT, POLB TYMP 78/4885SMN1; SMN2 1805/4885CYP2D6 4491/4885

“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.