SCHEMBL3198374

SCHEMBL3198374

COCCOCCOCCS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
LMNA P02545 3/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 6/20 0.46
NPC1 O15118 1/20 0.45
LOX P28300 1/20 0.43
PAX8 Q06710 2/20 0.43
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 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
SCHEMBL5672462 1.00 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL16874960 1.00 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL17997014 0.93 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL564467 0.89 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL10411833 0.87 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL14879973 0.86 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL17997021 0.85 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL232719 0.85 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL14638635 0.85 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL26809029 0.85 GAA (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683041-B2 Microgel particles for the delivery of bioactive materials THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-03-23 US disclosed
US-7247384-B2 tip coated with a monolayer of ethylene glycol derivatives resists the adsorption of proteins THE UNIVERSITY OF HOUSTON (US) 2007-07-24 US disclosed
US-20060223776-A1 Microgel particles for the delivery of bioactive materials THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-10-05 US disclosed
US-7056901-B2 Microgel particles for the delivery of bioactive materials THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-06-06 US disclosed
EP-1490083-A1 MICROGEL PARTICLES FOR THE DELIVERY OF BIOACTIVE MATERIALS The Regents of the University of California (US) 2004-12-29 EP disclosed
US-20040213910-A1 tip coated with a monolayer of ethylene glycol derivatives resists the adsorption of proteins UNIVERSITY OF HOUSTON (US) 2004-10-28 US disclosed
US-20030211158-A1 Microgel particles for the delivery of bioactive materials UNITED STATES DEPARTMENT OF ENERGY 2003-11-13 US disclosed
WO-2003082316-A1 MICROGEL PARTICLES FOR THE DELIVERY OF BIOACTIVE MATERIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-10-09 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 (2 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-20030211158-A1 Microgel particles for the delivery of bioactive materials CTSE, CHMP4B, GAA ALDH1A1 2991/4885CYP3A4 4661/4885CYP2C9 4467/4885
US-20060223776-A1 Microgel particles for the delivery of bioactive materials CTSE, CHMP4B, GAA ALDH1A1 2991/4885CYP3A4 4661/4885CYP2C9 4467/4885

“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.