SCHEMBL4480834

SCHEMBL4480834

CC(OC(=O)CC(=O)O)OC(=O)OC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
NAAA Q02083 2/20 0.39
HTT P42858 1/20 0.38
CYP2C19 P33261 2/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP19A1 P11511 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CTSK P43235 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL14504409 0.83 MMP1 (0.41) EPHX1NAAAHTTCYP2C19L3MBTL1
SCHEMBL28499766 0.83 NAAA (0.42) EPHX1NAAAHTTCYP2C19CYP2D6
SCHEMBL14533261 0.82 NAAA (0.39) EPHX1NAAAHTTCYP2C19LMNA
SCHEMBL20207259 0.82 NAAA (0.49) EPHX1NAAAHTTCYP2C19LMNA
SCHEMBL26939313 0.81 LMNA (0.35) EPHX1NAAAHTTLMNACYP1A2
SCHEMBL12744578 0.81 NAAA (0.41) EPHX1NAAAHTTCYP2C19LMNA
SCHEMBL14504448 0.81 NAAA (0.38) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL5987477 0.79 EPHX1 (0.40) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL5986431 0.79 EPHX1 (0.40) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL7606345 0.79 EPHX1 (0.40) EPHX1NAAAHTTCYP2C19CYP19A1

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 EPHX1 1391/4885NAAA 112/4885HTT 4700/4885

“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.