SCHEMBL1979635

SCHEMBL1979635

CC(=O)Oc1c(C)cc(CO)cc1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
HTT P42858 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.40
BACE1 P56817 1/20 0.40
LMNA P02545 3/20 0.36
PTPN1 P18031 2/20 0.36
ACHE P22303 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8673567 0.85 HTT (0.44) CYP4F2CYP4A11HTTKDM4EHSD17B10
SCHEMBL24202214 0.82 HTT (0.45) CYP4F2CYP4A11HTTKDM4EHSD17B10
SCHEMBL1974691 0.82 HTT (0.45) CYP4F2CYP4A11HTTKDM4EHSD17B10
SCHEMBL28717635 0.81 THRB (0.45) HTTKDM4EHSD17B10MAPTTP53
SCHEMBL15463122 0.81 HTT (0.44) HTTKDM4EHSD17B10MAPTTP53
SCHEMBL5034651 0.79 HMGB1 (0.51) HTTKDM4EHSD17B10MAPTTP53
SCHEMBL12445342 0.79 ALDH1A1 (0.44) HTTKDM4EHSD17B10MAPTTP53
SCHEMBL12392570 0.79 TUBB4A (0.43) CYP4F2CYP4A11HSD17B10MAPTSMN1; SMN2
SCHEMBL14384031 0.79 ALOX15 (0.41) CYP4F2CYP4A11KDM4EMAPTGAA
SCHEMBL21790823 0.79 HTT (0.43) CYP4F2CYP4A11HTTKDM4EHSD17B10

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-8536336-B2 Prodrug compounds useful as cannabinoid ligands ABBVIE INC. (US) 2013-09-17 US disclosed
US-7989554-B2 Reacting polyalkylene oxide with base, tertiary alkyl haloacetate, then acid to prepare polyalkylene oxide carboxylic acid ENZON PHARMACEUTICALS, INC. (US) 2011-08-02 US disclosed
WO-2011075522-A1 PRODRUG COMPOUNDS USEFUL AS CANNABINOID LIGANDS ABBOTT LABORATORIES (US) 2011-06-23 WO disclosed
US-20110144165-A1 PRODRUG COMPOUNDS USEFUL AS CANNABINOID LIGANDS ABBOTT LABORATORIES (US) 2011-06-16 US disclosed
US-20070173615-A1 High efficiency method of preparing polyalkylene oxide carboxylic acids BELROSE PHARMA INC. 2007-07-26 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-20110144165-A1 PRODRUG COMPOUNDS USEFUL AS CANNABINOID LIGANDS CNR2, CNR1, OPRL1 CYP4F2 835/4885CYP4A11 607/4885HTT 3988/4885

“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.