SCHEMBL4336004

SCHEMBL4336004

CC(C)c1cccc(C(C)C)c1OC(=O)Oc1ccccc1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL1282917 0.84 ALDH1A1 (0.65) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL4330748 0.82 KDM4E (0.62) ALDH1A1TDP1TSHRMAPK1SCN5A
SCHEMBL15397422 0.82 ALDH1A1 (0.65) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL8408603 0.81 ALDH1A1 (0.54) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL24729065 0.80 ALDH1A1 (0.63) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL4064899 0.77 ALDH1A1 (0.55) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL8025090 0.77 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL2875064 0.76 KDM4E (0.62) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL5710874 0.76 ALDH1A1 (0.65) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL4193889 0.76 TSHR (0.56) ALDH1A1TDP1L3MBTL1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312424-A1 AROMATIC PRODRUGS OF PROPOFOL, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2009-12-17 US disclosed
US-7576127-B2 Aromatic prodrugs of propofol, compositions and uses thereof XENOPORT, INC. (US) 2009-08-18 US disclosed
US-7230003-B2 Aromatic prodrugs of propofol, compositions and uses thereof XENOPORT, INC. (US) 2007-06-12 US disclosed
US-20060287525-A1 Aromatic prodrugs of propofol, compositions and uses thereof XENOPORT, INC. 2006-12-21 US disclosed
US-20050107385-A1 Aromatic prodrugs of propofol, compositions and uses thereof XENOPORT, INC. 2005-05-19 US disclosed
WO-2005023204-A2 AROMATIC PRODRUGS OF PROPOFOL, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2005-03-17 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 (3 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-20090312424-A1 AROMATIC PRODRUGS OF PROPOFOL, COMPOSITIONS AND USES THEREOF CYP2C19, CYP3A5, CYP2C9 ALDH1A1 3668/4885TDP1 1112/4885L3MBTL1 3320/4885
US-20050107385-A1 Aromatic prodrugs of propofol, compositions and uses thereof CYP2C19, CYP3A5, CYP2C9 ALDH1A1 3668/4885TDP1 1112/4885L3MBTL1 3320/4885
US-20060287525-A1 Aromatic prodrugs of propofol, compositions and uses thereof CYP2C19, CYP3A5, CYP2C9 ALDH1A1 3668/4885TDP1 1112/4885L3MBTL1 3320/4885

“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.