SCHEMBL471779

SCHEMBL471779

C=Cc1ccc(C(=O)OC2CN(COC)C(=O)N(COC)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
SCN1A P35498 2/20 0.36
SCN2A Q99250 2/20 0.36
SCN3A Q9NY46 2/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL10053102 0.95 TAS1R3 (0.35) SMN1; SMN2SCN1ASCN2ASCN3ATAS1R3
SCHEMBL472300 0.89 CYP2D6 (0.33) SMN1; SMN2MEN1KMT2AALDH1A1CYP2D6
SCHEMBL10021856 0.88 CYP2D6 (0.32) SMN1; SMN2MEN1KMT2AALDH1A1CYP2D6
SCHEMBL10021857 0.87 ALDH1A1 (0.32) SMN1; SMN2MEN1KMT2AALDH1A1CYP2D6
SCHEMBL10021861 0.87 ALDH1A1 (0.32) SMN1; SMN2MEN1KMT2AALDH1A1CYP2D6
SCHEMBL10021858 0.86 ALDH1A1 (0.38) L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL10053742 0.86 SMN1; SMN2 (0.40) SMN1; SMN2SCN1ASCN2ASCN3ATAS1R3
SCHEMBL10053096 0.85 KDM2B (0.32) MEN1KMT2AALDH1A1CYP2D6
SCHEMBL17936646 0.82 SERPINE1 (0.38) SMN1; SMN2SCN1ASCN2ASCN3AMEN1
SCHEMBL20109663 0.81 POLB (0.46) SMN1; SMN2SCN1ASCN2ASCN3AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2413192-B1 POLYMERIZABLE MONOMERS SHINETSU CHEMICAL CO (JP) 2016-12-21 EP disclosed
EP-2413192-B1 POLYMERIZABLE MONOMERS SHINETSU CHEMICAL CO (JP) 2016-12-21 EP disclosed
EP-2412733-B1 Polymer, chemically amplified negative resist composition, and patterning process SHINETSU CHEMICAL CO (JP) 2016-03-23 EP disclosed
EP-2412733-B1 Polymer, chemically amplified negative resist composition, and patterning process SHINETSU CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-8501942-B2 Polymerizable monomers SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-8501942-B2 Polymerizable monomers SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-8501942-B2 Polymerizable monomers SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-8470512-B2 Polymer, chemically amplified negative resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-06-25 US disclosed
US-8470512-B2 Polymer, chemically amplified negative resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-06-25 US disclosed
US-20120028190-A1 POLYMER, CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-02-02 US disclosed
US-20120028190-A1 POLYMER, CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-02-02 US disclosed
US-20120029193-A1 POLYMERIZABLE MONOMERS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-02-02 US disclosed
US-20120029193-A1 POLYMERIZABLE MONOMERS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-02-02 US disclosed
US-20120029193-A1 POLYMERIZABLE MONOMERS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-02-02 US disclosed
EP-2412733-A1 Polymer, chemically amplified negative resist composition, and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2012-02-01 EP disclosed
EP-2413192-A1 Polymerizable monomers Shin-Etsu Chemical Co., Ltd. (JP) 2012-02-01 EP disclosed
EP-2413192-A1 Polymerizable monomers Shin-Etsu Chemical Co., Ltd. (JP) 2012-02-01 EP disclosed
EP-2412733-A1 Polymer, chemically amplified negative resist composition, and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2012-02-01 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-20120029193-A1 POLYMERIZABLE MONOMERS C9, CCNA1, H1-0 SMN1; SMN2 978/4885SCN1A 1587/4885SCN2A 3299/4885

“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.