SCHEMBL4199138

SCHEMBL4199138

C=CN1CCN(CCOC)C1=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
P2RX7 Q99572 1/20 0.32
PARP1 P09874 1/20 0.31
FKBP1A P62942 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
SCHEMBL11826595 0.82
SCHEMBL14094214 0.81 ALDH1A1 (0.42) SCN9AALDH1A1P2RX7PARP1
SCHEMBL29019612 0.80 L3MBTL1 (0.34) FKBP1A
SCHEMBL8999277 0.80 BCHE (0.32)
SCHEMBL4194394 0.79 SCN9A (0.36) SCN9AALDH1A1PARP1FKBP1A
SCHEMBL7154847 0.76 CARM1 (0.34) FKBP1A
SCHEMBL4404271 0.76 KDM4E (0.35) ALDH1A1FKBP1A
SCHEMBL4906543 0.76 F2 (0.32)
SCHEMBL751330 0.76 ALDH1A1 (0.38) SCN9AALDH1A1P2RX7PARP1
SCHEMBL14094220 0.74 ALDH1A1 (0.39) SCN9AALDH1A1PARP1

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 3491/4885ALDH1A1 4350/4885P2RX7 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.