SCHEMBL5491987

SCHEMBL5491987

CCCCCC(O)CCOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.47
CA1 P00915 3/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CETP P11597 3/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR1A P08908 1/20 0.41

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
SCHEMBL28788533 0.98 CSNK1E (0.49) CSNK1ECA1CA2CA7CA9
SCHEMBL23533573 0.98 CSNK1E (0.49) CSNK1ECA1CA2CA7CA9
SCHEMBL31362225 0.98 CSNK1E (0.49) CSNK1ECA1CA2CA7CA9
SCHEMBL26163484 0.98 CSNK1E (0.49) CSNK1ECA1CA2CA7CA9
SCHEMBL6026038 0.92 CSNK1E (0.49) CSNK1ECA1CA2CA7CA9
SCHEMBL31362254 0.92 CSNK1E (0.49) CSNK1ECA1CA2CA7CA9
SCHEMBL31362240 0.92 CSNK1E (0.49) CSNK1ECA1CA2CA7CA9
SCHEMBL3429104 0.92 CSNK1E (0.49) CSNK1ECA1CA2CA7CA9
SCHEMBL22749478 0.92 CSNK1E (0.49) CSNK1ECA1CA2CA7CA9
SCHEMBL15153556 0.92 CSNK1E (0.49) CSNK1ECA1CA2CA7CA9

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
US-7303739-B2 Prodrugs for liver specific drug delivery METABASIS THERAPEUTICS, INC. (US) 2007-12-04 US disclosed
US-20050101775-A1 Cyclic phosph(oramid)ate prodrugs having alcohol, amine, orthiol groups attached to phosphorus; camptothecins; pharmacodynamic half-life; diagnostic imaging CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2005-05-12 US disclosed
US-6752981-B1 CYCLIC PHOSPH(ORAMID)ATE PRODRUGS HAVING ALCOHOL, AMINE, ORTHIOL GROUPS ATTACHED TO THE PHOSPHORUS IN THE C3N2P OR C3O2P RING METABASIS THERAPEUTICS, INC. 2004-06-22 US disclosed
EP-1210354-A1 PRODRUGS FOR LIVER SPECIFIC DRUG DELIVERY Metabasis Therapeutics, Inc. (US) 2002-06-05 EP disclosed
WO-2001018013-A1 PRODRUGS FOR LIVER SPECIFIC DRUG DELIVERY METABASIS THERAPEUTICS, INC. (US) 2001-03-15 WO 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-20050101775-A1 Cyclic phosph(oramid)ate prodrugs having alcohol, amine, orthiol groups attached to phosphorus; camptothecins; pharmacodynamic half-life; diagnostic imaging PYGL, PHOSPHO1, OAT CSNK1E 4508/4885CA1 2713/4885CA2 2550/4885

“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.