SCHEMBL21840474

SCHEMBL21840474

O=C1C=CC(=O)N1O[PH](=O)ON1C(=O)C=CC1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
FAAH O00519 2/20 0.32
GMNN O75496 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
THPO P40225 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL7139394 0.69 MGLL (0.42) MGLLGSK3AGSK3BFAAHGMNN
SCHEMBL10666060 0.69 MGLL (0.42) MGLLGSK3AGSK3BFAAHGMNN
SCHEMBL2493031 0.65
SCHEMBL819470 0.65
SCHEMBL712983 0.63 MGLL (0.36) MGLLGSK3AGSK3BFAAHGMNN
SCHEMBL5071662 0.61 ALDH1A1 (0.35) MGLLGSK3AGSK3BFAAHGMNN
SCHEMBL317848 0.61 MGLL (0.35) MGLLGSK3AGSK3BFAAHGMNN
SCHEMBL9728517 0.61 MGLL (0.41) MGLLGSK3AGSK3BFAAHALDH1A1
SCHEMBL865686 0.61 ALDH1A1 (0.35) MGLLGSK3AGSK3BFAAHGMNN
SCHEMBL2111704 0.61 MGLL (0.35) MGLLGSK3AGSK3BFAAHGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MGLL 77/4885GSK3A 3396/4885GSK3B 3345/4885
US-20200281823-A1 WATER SWELLABLE CROSSLINKED ELASTOMER AND METHOD OF PREPARATION CUTA, DSG1, SMCHD1 MGLL 77/4885GSK3A 3396/4885GSK3B 3345/4885

“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.