SCHEMBL2225864

SCHEMBL2225864

CCC1OC(C)(C)OC1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGD P52209 1/20 0.42
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ITGA4 P13612 1/20 0.36
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LGALS3 P17931 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL12518968 1.00 PGD (0.42) PGDALDH1A1MAPTITGA4MAPK1
SCHEMBL11218855 0.85 PGD (0.42) PGDALDH1A1MAPTITGA4MAPK1
SCHEMBL14750611 0.85 PGD (0.42) PGDALDH1A1MAPTITGA4MAPK1
SCHEMBL13122486 0.85 PGD (0.42) PGDALDH1A1MAPTITGA4MAPK1
SCHEMBL16421028 0.84 TSHR (0.39) PGDALDH1A1MAPK1NPSR1KMT2A
SCHEMBL16421031 0.84 TSHR (0.39) PGDALDH1A1MAPK1NPSR1KMT2A
SCHEMBL16488727 0.84 TSHR (0.39) PGDALDH1A1MAPK1NPSR1KMT2A
SCHEMBL12826506 0.82 ALDH1A1 (0.47) PGDALDH1A1MAPTITGA4MAPK1
SCHEMBL9979878 0.82 ALDH1A1 (0.47) PGDALDH1A1MAPTITGA4MAPK1
SCHEMBL675867 0.82 ALDH1A1 (0.47) PGDALDH1A1MAPTITGA4MAPK1

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
US-8361991-B2 Hydroxylated amide skin moisturizer L'OREAL (FR) 2013-01-29 US disclosed
WO-2011087995-A2 ORGANIC COMPOUNDS BARRY CLIFTON (US) 2011-07-21 WO disclosed
US-20100009933-A1 HYDROXYLATED AMIDE SKIN MOISTURIZER L'OREAL (FR) 2010-01-14 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-20100009933-A1 HYDROXYLATED AMIDE SKIN MOISTURIZER H1-0, H1-3, H1-4 PGD 1154/4885ALDH1A1 248/4885MAPT 4065/4885

“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.