SCHEMBL21840481

SCHEMBL21840481

C=Cc1ccc(OP(=O)(OCC)OCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.55
CA1 P00915 1/20 0.55
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL5026807 0.85 CA2 (0.70) CA2CA1BCHEACHEMEN1
SCHEMBL31416540 0.84 CA2 (0.57) CA2CA1BCHEACHEMEN1
SCHEMBL5072774 0.83 TSHR (0.52) CA2CA1BCHEACHEMEN1
SCHEMBL29203788 0.80 CA2 (0.60) CA2CA1BCHEACHEMEN1
SCHEMBL779641 0.79 CHRNB2 (0.44) CA2CA1BCHEACHECHRNB2
SCHEMBL3294100 0.78 TSHR (0.69) CA2CA1BCHEACHEMEN1
SCHEMBL20710745 0.78 CA1 (0.62) CA2CA1BCHEACHEMEN1
SCHEMBL26692940 0.78 TSHR (0.43) CA2CA1BCHEACHEMEN1
SCHEMBL13717006 0.77 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL20710737 0.77 CA2 (0.60) CA2CA1BCHEACHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115838458-B Novel polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2025-03-11 CN disclosed
CN-115894814-B Novel polycarboxylic acid slump retaining agent and preparation method thereof 科之杰新材料集团有限公司 2025-02-18 CN disclosed
EP-3846774-A1 WATER SWELLABLE CROSSLINKED ELASTOMER AND METHOD OF PREPARATION AND USE Momentive Performance Materials Inc. (US) 2021-07-14 EP disclosed
US-20200281823-A1 WATER SWELLABLE CROSSLINKED ELASTOMER AND METHOD OF PREPARATION MOMENTIVE PERFORMANCE MAT INC (US) 2020-09-10 US disclosed
US-20200113812-A1 WATER SWELLABLE CROSSLINKED ELASTOMER AND METHOD OF PREPARATION MOMENTIVE PERFORMANCE MATERIALS INC. 2020-04-16 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-20200113812-A1 WATER SWELLABLE CROSSLINKED ELASTOMER AND METHOD OF PREPARATION CUTA, DSG1, SMCHD1 CA2 4235/4885CA1 4846/4885BCHE 3865/4885
US-20200281823-A1 WATER SWELLABLE CROSSLINKED ELASTOMER AND METHOD OF PREPARATION CUTA, DSG1, SMCHD1 CA2 4235/4885CA1 4846/4885BCHE 3865/4885

“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.