SCHEMBL31216396

SCHEMBL31216396

C=C(C)C(=O)OCCCC(C[N+](C)(C)C)OP(=O)([O-])O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
THRB P10828 1/20 0.35
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
HRH1 P35367 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL1260101 0.96 TSHR (0.42) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1260811 0.95 TSHR (0.44) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5673772 0.95 TSHR (0.44) TSHRTHRBPOLBAPEX1HTT
SCHEMBL80350 0.92 THRB (0.36) TSHRTHRBMEN1CYP1A2HRH1
SCHEMBL17964294 0.90 TSHR (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL541861 0.90 TSHR (0.42) TSHRTHRBPOLBAPEX1HTT
Methacrylic Acid SCHEMBL5479590 0.89 LMNA (0.35) TSHRTHRBMEN1CYP1A2HRH1
SCHEMBL3976898 0.88 TSHR (0.53) TSHRMEN1KMT2ALMNA
SCHEMBL14989008 0.88 THRB (0.42) TSHRTHRBMEN1CYP1A2HRH1
SCHEMBL541372 0.86 TSHR (0.44) TSHRTHRBPOLBAPEX1HTT

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-4713720-A2 HIGH-ENERGY-VIOLET-ABSORBING VINYLIC MONOMERS Alcon Inc. (CH) 2026-03-25 EP claimed
WO-2024236526-A2 HIGH-ENERGY-VIOLET-ABSORBING VINYLIC MONOMERS ALCON INC. (CH) 2024-11-21 WO claimed
US-20240383865-A1 HIGH-ENERGY-VIOLET-ABSORBING VINYLIC MONOMERS ALCON INC (CH) 2024-11-21 US claimed
WO-2026099827-A1 LIGHT ABSORBERS FOR OPHTHALMC LENS MATERALS AND DEVICES ALCON INC. (CH) 2026-05-15 WO disclosed
US-20260132236-A1 LIGHT ABSORBERS FOR OPHTHALMC LENS MATERALS AND DEVICES ALCON INC (CH) 2026-05-14 US disclosed
EP-4713720-A2 HIGH-ENERGY-VIOLET-ABSORBING VINYLIC MONOMERS Alcon Inc. (CH) 2026-03-25 EP disclosed
WO-2024236526-A2 HIGH-ENERGY-VIOLET-ABSORBING VINYLIC MONOMERS ALCON INC. (CH) 2024-11-21 WO disclosed
US-20240383865-A1 HIGH-ENERGY-VIOLET-ABSORBING VINYLIC MONOMERS ALCON INC (CH) 2024-11-21 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 (2 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-20260132236-A1 LIGHT ABSORBERS FOR OPHTHALMC LENS MATERALS AND DEVICES RAD51, ERCC1, LANCL2 TSHR 751/4885THRB 824/4885POLB 4060/4885
US-20240383865-A1 HIGH-ENERGY-VIOLET-ABSORBING VINYLIC MONOMERS VCL, HBS1L, SAAL1 TSHR 2984/4885THRB 1222/4885POLB 2097/4885

“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.