SCHEMBL22044548

SCHEMBL22044548

O=C(O)CCCN1CC=CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.47
PTGS2 P35354 4/20 0.47
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.34
LMNA P02545 1/20 0.34
F13A1 P00488 2/20 0.34

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
SCHEMBL17177512 0.93 PTGS1 (0.57) PTGS1PTGS2SMN1; SMN2FABP4FABP5
SCHEMBL13741239 0.89 KDM4E (0.42) PTGS1PTGS2MAPK1SMN1; SMN2FABP4
SCHEMBL22844033 0.86 MAPK1 (0.33) PTGS1PTGS2MAPK1SMN1; SMN2KDM4E
SCHEMBL17177651 0.79 PTGS1 (0.41) PTGS1PTGS2MAPK1SMN1; SMN2KDM4E
SCHEMBL22927439 0.78 ALDH1A1 (0.38) PTGS1PTGS2MAPK1SMN1; SMN2KDM4E
SCHEMBL21540840 0.78 GRM8 (0.36) PTGS1PTGS2MAPK1KDM4E
SCHEMBL23132249 0.76 ALDH1A1 (0.32) PTGS1PTGS2MAPK1ALDH1A1
SCHEMBL17177637 0.76 MAPK1 (0.37) PTGS1PTGS2MAPK1SMN1; SMN2KDM4E
SCHEMBL22045357 0.76 KMT2A (0.30) SMN1; SMN2KMT2A
SCHEMBL30318919 0.76 FAAH (0.32) MAPK1SMN1; SMN2ALDH1A1HPGDLMNA

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-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2024-01-16 US disclosed
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-06-04 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-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 PTGS1 4236/4885PTGS2 4787/4885CYP1A2 4695/4885
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 PTGS1 4236/4885PTGS2 4787/4885CYP1A2 4695/4885

“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.