SCHEMBL13347309

SCHEMBL13347309

C=C(C)C(=O)OCCNC(=O)OC(C)(C)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
ELANE P08246 1/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL12056089 0.84 POLB (0.47) LMNAPOLBTDP1APEX1HTT
SCHEMBL12056091 0.83 POLB (0.46) POLBTDP1APEX1HTTMEN1
SCHEMBL10005504 0.83 IDO1 (0.46) IDO1NPSR1SMN1; SMN2LMNAPOLB
SCHEMBL23391659 0.81 IDO1 (0.45) IDO1NPSR1SMN1; SMN2LMNAPOLB
SCHEMBL15120385 0.79 NAAA (0.49) NPSR1TDP1
SCHEMBL20559023 0.79 POLB (0.42) POLBTDP1APEX1HTTALDH1A1
SCHEMBL2847525 0.78 ELANE (0.49) NPSR1SMN1; SMN2LMNATDP1CYP1A2
SCHEMBL23943448 0.78 NPSR1 (0.48) IDO1NPSR1SMN1; SMN2LMNAPOLB
SCHEMBL13854684 0.77 POLB (0.43) SMN1; SMN2POLBTDP1APEX1HTT
SCHEMBL262736 0.77 TDP1 (0.47) IDO1TDP1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3598181-B1 VINYLIC MONOMER AND PREPOLYMER COMPRISING SAME ALCON INC (CH) 2021-06-23 EP disclosed
US-20130172504-A1 SILICONE HYDROGEL MATERIALS WITH CHEMICALLY BOUND WETTING AGENTS NOVARTIS AG (CH) 2013-07-04 US disclosed
US-20130172504-A1 SILICONE HYDROGEL MATERIALS WITH CHEMICALLY BOUND WETTING AGENTS NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8404759-B2 soft contact lens has a hydrophilic surface without post-curing surface treatment; macromolecular monomer of oligosiloxane mono-endcapped with (meth)acrylate or (meth)acrylamide, that copolymerizes with hydrophilic monomer and a vinylic ketone monomer NOVARTIS AG (CH) 2013-03-26 US disclosed
US-8404759-B2 soft contact lens has a hydrophilic surface without post-curing surface treatment; macromolecular monomer of oligosiloxane mono-endcapped with (meth)acrylate or (meth)acrylamide, that copolymerizes with hydrophilic monomer and a vinylic ketone monomer NOVARTIS AG (CH) 2013-03-26 US disclosed
WO-2010056687-A2 SILICONE HYDROGEL MATERIALS WITH CHEMICALLY BOUND WETTING AGENTS NOVARTIS AG (CH) 2010-05-20 WO disclosed
US-20100120939-A1 SILICONE HYDROGEL MATERIALS WITH CHEMICALLY BOUND WETTING AGENTS ALCON INC. (CH) 2010-05-13 US disclosed
US-20100120939-A1 SILICONE HYDROGEL MATERIALS WITH CHEMICALLY BOUND WETTING AGENTS ALCON INC. (CH) 2010-05-13 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-20100120939-A1 SILICONE HYDROGEL MATERIALS WITH CHEMICALLY BOUND WETTING AGENTS CRYAA, CRYAB, PCNA IDO1 4291/4885NPSR1 4492/4885SMN1; SMN2 4714/4885

“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.