SCHEMBL4200824

SCHEMBL4200824

C=CCOC(=O)OCCN1CCN(CCOC)C1=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
PARP1 P09874 1/20 0.32
P2RX7 Q99572 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP3A4 P08684 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4193243 0.93 CYP3A4 (0.34) NPSR1CYP3A4TDP1
SCHEMBL4196055 0.87 NPSR1 (0.31) NPSR1CYP3A4TDP1
SCHEMBL4195667 0.82 FAAH (0.35) SCN9APARP1P2RX7NPSR1
SCHEMBL4194394 0.77 SCN9A (0.36) SCN9APARP1NPSR1CYP3A4
SCHEMBL14094214 0.76 ALDH1A1 (0.42) SCN9APARP1P2RX7ATM
SCHEMBL4201430 0.76 POLB (0.42)
SCHEMBL4198954 0.75 THRB (0.40) SCN9APARP1P2RX7ATMTDP1
SCHEMBL4194413 0.75 KDM4E (0.36) SCN9ANPSR1CYP3A4
SCHEMBL7261380 0.75 TDP1 (0.40) CYP3A4TDP1
SCHEMBL9469787 0.73 TSHR (0.42) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1361246-B1 ORGANIC POLYMER AND NOVEL POLYMERIZABLE COMPOUND MITSUI CHEMICALS INC (JP) 2009-02-18 EP disclosed
US-6797805-B2 Organic polymers and novel polymerizable compounds MITSUI CHEMICALS, INC. (JP) 2004-09-28 US disclosed
EP-1361246-A1 ORGANIC POLYMER AND NOVEL POLYMERIZABLE COMPOUND Mitsui Chemicals, Inc. (JP) 2003-11-12 EP disclosed
US-20030166808-A1 Organic polymers and novel polymerizable compound MITSUI CHEMICALS, INC. (JP) 2003-09-04 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 (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-20030166808-A1 Organic polymers and novel polymerizable compound PCNA, UTP18, ODC1 SCN9A 3491/4885PARP1 495/4885P2RX7 4238/4885

“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.