SCHEMBL448594

SCHEMBL448594

C=C(CCCCCCN=C=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.38
TET2 Q6N021 3/20 0.32
TET3 O43151 1/20 0.32
TET1 Q8NFU7 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
GRM1 Q13255 1/20 0.31
GRM2 Q14416 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL445917 1.00 TBXAS1 (0.38) TBXAS1TET2TET3TET1GRIK1
SCHEMBL445702 1.00 TBXAS1 (0.38) TBXAS1TET2TET3TET1GRIK1
SCHEMBL2358462 1.00 TBXAS1 (0.38) TBXAS1TET2TET3TET1GRIK1
SCHEMBL448242 1.00 TBXAS1 (0.38) TBXAS1TET2TET3TET1GRIK1
SCHEMBL33514 0.98 TBXAS1 (0.36) TBXAS1TET2TET3TET1GRIK1
SCHEMBL15427 0.92 TET2 (0.39) TBXAS1TET2TET3TET1GRIK1
Acetone SCHEMBL5519066 0.87 TET2 (0.35) TBXAS1TET2TET3TET1GRIK1
SCHEMBL5685778 0.85 CAMK2A (0.35) TBXAS1TET2TET3TET1GRIK1
SCHEMBL890544 0.84 TET2 (0.33) TET2TET3TET1GRIK1GRIK2
SCHEMBL346413 0.84 TET2 (0.37) TET2TET3TET1GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307190-B1 SILICONE-CONTAINING POLYMERIC MATERALS WITH HYDROLYZABLE GROUPS NOVARTIS AG (CH) 2015-03-18 EP disclosed
US-8883928-B2 Silicone-containing polymeric materials with hydrolyzable groups NOVARTIS AG (CH) 2014-11-11 US disclosed
US-20120264963-A1 PHOTOCURABLE COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-10-18 US disclosed
US-8217195-B2 Photocurable compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-07-10 US disclosed
US-20120065331-A1 SILICONE-CONTAINING POLYMERIC MATERIALS WITH HYDROLYZABLE GROUPS ALCON INC. (CH) 2012-03-15 US disclosed
US-8079703-B2 Silicone-containing polymeric materials with hydrolyzable groups NOVARTIS AG (CH) 2011-12-20 US disclosed
EP-2307190-A1 SILICONE-CONTAINING POLYMERIC MATERALS WITH HYDROLYZABLE GROUPS Novartis AG (CH) 2011-04-13 EP disclosed
US-20100197876-A1 PHOTOCURABLE COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-08-05 US disclosed
WO-2010011493-A1 SILICONE-CONTAINING POLYMERIC MATERALS WITH HYDROLYZABLE GROUPS NOVARTIS AG (CH) 2010-01-28 WO disclosed
US-20100014047-A1 Silicone-Containing Polymeric Materials with Hydrolyzable Groups ALCON INC. (CH) 2010-01-21 US disclosed
EP-0181281-B1 FLUOROALKYLCARBAMYL ACRYLATES AND METHACRYLATES CIBA-GEIGY AG (CH) 1989-03-08 EP disclosed
EP-0177447-B1 DIPERFLUOROALKYL CARBAMYL ACRYLATES AND METHACRYLATES CIBA-GEIGY AG (CH) 1987-08-19 EP disclosed
EP-0181281-A1 Fluoroalkylcarbamyl acrylates and methacrylates CIBA-GEIGY AG (CH) 1986-05-14 EP disclosed
EP-0177447-A1 Diperfluoroalkyl carbamyl acrylates and methacrylates CIBA-GEIGY AG (CH) 1986-04-09 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-20120264963-A1 PHOTOCURABLE COMPOUND ACR, UMPS, UGT1A1 TBXAS1 2087/4885TET2 107/4885TET3 118/4885

“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.