SCHEMBL22311674

SCHEMBL22311674

CC(C)CC(NC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 7/20 0.47
TDP1 Q9NUW8 5/20 0.47
POLB P06746 5/20 0.47
CTSL P07711 2/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
MAPT P10636 8/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 2/20 0.44
RECQL P46063 3/20 0.43
XBP1 P17861 1/20 0.43
GAA P10253 1/20 0.41
NPR3 P17342 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL28516209 1.00 NPSR1 (0.47) NPSR1TDP1POLBCTSLCTSB
SCHEMBL2059013 0.86 TAS1R3 (0.46) POLB
SCHEMBL7367580 0.83 MAPT (0.48) NPSR1TDP1POLBCTSLCTSB
SCHEMBL7343698 0.83 NPSR1 (0.48) NPSR1TDP1POLBCTSLCTSB
SCHEMBL6224857 0.83 MAPT (0.48) NPSR1TDP1POLBCTSLCTSB
SCHEMBL10210577 0.81 NPSR1 (0.50) NPSR1TDP1POLBCTSLCTSB
SCHEMBL12627973 0.81 NPSR1 (0.50) NPSR1TDP1POLBCTSLCTSB
SCHEMBL14856408 0.81 TDP1 (0.37) NPSR1TDP1POLBCTSKMAPT
SCHEMBL13863595 0.81 TDP1 (0.37) NPSR1TDP1POLBCTSKMAPT
SCHEMBL21675512 0.80 CTSK (0.61) NPSR1TDP1POLBCTSLCTSB

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
US-11319341-B2 Immune-stimulating soluble doxorubicin-conjugated complex YAFEI (SHANGHAI) BIOPHARMACEUTICAL CO., LTD. (CN) 2022-05-03 US disclosed
US-20200247842-A1 Immune-stimulating soluble doxorubicin-conjugated complex YAFEI (SHANGHAI) BIOPHARMACEUTICAL CO LTD (CN) 2020-08-06 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 (2 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-20200247842-A1 Immune-stimulating soluble doxorubicin-conjugated complex TLR3, CD40, TLR6 NPSR1 2779/4885TDP1 4677/4885POLB 3043/4885
US-11319341-B2 Immune-stimulating soluble doxorubicin-conjugated complex TLR3, CD40, TLR6 NPSR1 2779/4885TDP1 4677/4885POLB 3043/4885

“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.