SCHEMBL18928616

SCHEMBL18928616

COC(=O)CCC(=O)N(CO)CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 1/20 0.37
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KDM5A P29375 2/20 0.34
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CYP1A2 P05177 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL10269880 0.92 TSHR (0.54) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL18666985 0.85 ALDH1A1 (0.47) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL19479725 0.81 TSHR (0.42) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL22317406 0.77 TSHR (0.38) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL14553105 0.77 KMT2A (0.44) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL9694600 0.76 TSHR (0.54) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL13260774 0.76 TSHR (0.54) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL10369580 0.75 TSHR (0.59) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL23502942 0.74 POLB (0.39) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL1232870 0.73 ALDH1A1 (0.41) LMNAKDM4EALDH1A1MAPTCA12

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-20170296663-A1 Conjugates of Cell Binding Molecules with Cytotoxic Agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2017-10-19 US disclosed
US-20170157262-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD (CN) 2017-06-08 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-20170157262-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 TSHR 33/4885KMT2A 2737/4885MEN1 410/4885
US-20170296663-A1 Conjugates of Cell Binding Molecules with Cytotoxic Agents CD4, CD2, CD47 TSHR 34/4885KMT2A 2981/4885MEN1 340/4885

“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.