SCHEMBL4330748

SCHEMBL4330748

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.62
HSD17B10 Q99714 6/20 0.62
HPGD P15428 4/20 0.62
ALDH1A1 P00352 3/20 0.53
ESR1 P03372 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
HMGB1 P09429 1/20 0.53
TSHR P16473 1/20 0.53
GGT1 P19440 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
BLM P54132 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL1952758 0.82 SCN5A (0.58) HPGDTSHRPTGS1BLMLMNA
SCHEMBL4336004 0.82 ALDH1A1 (0.48) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL1721235 0.80 KDM4E (0.78) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL4327418 0.80 NPSR1 (0.52) KDM4EHSD17B10HPGDALDH1A1MEN1
SCHEMBL4333091 0.80 ALDH1A1 (0.45) KDM4EHSD17B10ALDH1A1LMNACYP1A2
SCHEMBL47856 0.77 KDM4E (1.00) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL991362 0.77 TSHR (0.50) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL1913800 0.76 KDM4E (0.72) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL254364 0.75 ALDH1A1 (0.59) KDM4EHSD17B10HPGDALDH1A1HMGB1
Hydrogen Peroxide SCHEMBL9514730 0.75 ALDH1A1 (0.59) KDM4EHSD17B10HPGDALDH1A1HMGB1

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 KDM4E 820/4885HSD17B10 3054/4885HPGD 614/4885
US-20050107385-A1 Aromatic prodrugs of propofol, compositions and uses thereof CYP2C19, CYP3A5, CYP2C9 KDM4E 820/4885HSD17B10 3054/4885HPGD 614/4885
US-20060287525-A1 Aromatic prodrugs of propofol, compositions and uses thereof CYP2C19, CYP3A5, CYP2C9 KDM4E 820/4885HSD17B10 3054/4885HPGD 614/4885

“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.