SCHEMBL4488864

SCHEMBL4488864

CC(OC(=O)CC(=O)O)OC(=O)OCCC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.38
KLK7 P49862 2/20 0.38
LMNA P02545 1/20 0.37
METAP2 P50579 1/20 0.37
EPHX1 P07099 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSH P09668 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CASP1 P29466 1/20 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
SCHEMBL698470 0.77 EPHX1 (0.46) EPHX1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL4480834 0.77 EPHX1 (0.41) CTSKLMNAEPHX1SMN1; SMN2
SCHEMBL4480821 0.77 EPHX1 (0.38) CTSKKLK7METAP2EPHX1SMN1; SMN2
SCHEMBL6894933 0.77 EPHX1 (0.38) CTSKKLK7METAP2EPHX1SMN1; SMN2
SCHEMBL696982 0.76 EPHX1 (0.44) KLK7EPHX1SMN1; SMN2MEN1MAPT
SCHEMBL13692816 0.75 EPHX1 (0.34) CTSKKLK7METAP2EPHX1SMN1; SMN2
SCHEMBL4481790 0.73 ALDH1A1 (0.43) LMNASMN1; SMN2MAPT
SCHEMBL698517 0.72 EPHX1 (0.40) EPHX1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL4487087 0.72
SCHEMBL4484124 0.71 TSHR (0.36) LMNASMN1; SMN2MEN1KMT2ATDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553989-B2 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-30 US claimed
US-20050272950-A1 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA LTD. (JP) 2005-12-08 US claimed
EP-1561748-A1 MALONIC ACID MONOESTERS AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2005-08-10 EP claimed
US-7553989-B2 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-30 US disclosed
US-20050272950-A1 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA LTD. (JP) 2005-12-08 US disclosed
EP-1561748-A1 MALONIC ACID MONOESTERS AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2005-08-10 EP 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-20050272950-A1 Malonic acid monoesters and process for producing the same ME1, SI, ME3 CTSK 2232/4885KLK7 2462/4885LMNA 3181/4885

“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.