SCHEMBL4333091

SCHEMBL4333091

CC(C)c1cccc(C(C)C)c1OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL8380667 0.81 LMNA (0.51) LMNA
SCHEMBL18489542 0.81 KCNK3 (0.46) ALDH1A1KDM4ELMNACYP1A2CYP2C9
SCHEMBL4330748 0.80 KDM4E (0.62) ALDH1A1KDM4ELMNACYP1A2CYP2C9
SCHEMBL4324944 0.79 NPSR1 (0.46)
SCHEMBL29657201 0.78 ALDH1A1 (0.59) ALDH1A1ALOX15KDM4ELMNACYP1A2
Benzene SCHEMBL28132022 0.78 ALDH1A1 (0.59) ALDH1A1ALOX15KDM4ELMNACYP1A2
SCHEMBL254364 0.78 ALDH1A1 (0.59) ALDH1A1ALOX15KDM4ELMNACYP1A2
Hydrogen Peroxide SCHEMBL9514730 0.78 ALDH1A1 (0.59) ALDH1A1ALOX15KDM4ELMNACYP1A2
SCHEMBL7831533 0.78 KCNK3 (0.46) ALDH1A1KDM4EHSD17B10
SCHEMBL8768064 0.78 SENP1 (0.44) ALDH1A1KDM4ELMNAHSD17B10

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-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

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 3668/4885ALOX15 1086/4885KDM4E 820/4885
US-20050107385-A1 Aromatic prodrugs of propofol, compositions and uses thereof CYP2C19, CYP3A5, CYP2C9 ALDH1A1 3668/4885ALOX15 1086/4885KDM4E 820/4885
US-20060287525-A1 Aromatic prodrugs of propofol, compositions and uses thereof CYP2C19, CYP3A5, CYP2C9 ALDH1A1 3668/4885ALOX15 1086/4885KDM4E 820/4885

“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.