SCHEMBL676895

SCHEMBL676895

CC1(C)CC(C(=O)O)CC(C)(C)N1[O].CC1(C)CC(C(=O)O)CC(C)(C)N1[O]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.58
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 2/20 0.43
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.35
GRM2 Q14416 2/20 0.33
GRM3 Q14832 2/20 0.33
GRM4 Q14833 2/20 0.33
MAOB P27338 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
LMNA P02545 1/20 0.33
GRM5 P41594 1/20 0.33
MTOR P42345 1/20 0.33
GRM1 Q13255 1/20 0.33
PLCB1 Q9NQ66 1/20 0.33

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
SCHEMBL224980 1.00 APLNR (0.58) APLNRCYP2C19CYP1A2ALOX15ALDH1A1
SCHEMBL6567505 0.86 TSHR (0.44) APLNRCYP2C19CYP1A2ALOX15ALDH1A1
SCHEMBL416167 0.81 APLNR (0.58) APLNRCYP2C19CYP1A2ALOX15ALDH1A1
SCHEMBL12110903 0.81 APLNR (0.58) APLNRCYP2C19CYP1A2ALOX15ALDH1A1
SCHEMBL7178038 0.81 APLNR (0.36) APLNRMAOB
SCHEMBL15568682 0.80 APLNR (0.42) APLNRCYP2C19CYP1A2ALOX15ALDH1A1
SCHEMBL3741325 0.79 SMN1; SMN2 (0.36) APLNRMAOBTDP1
SCHEMBL15951391 0.79 APLNR (0.56) APLNRCYP2C19CYP1A2ALOX15ALDH1A1
SCHEMBL6173752 0.76 APLNR (0.52) APLNRCYP2C19CYP1A2ALOX15ALDH1A1
SCHEMBL17586693 0.76 APLNR (0.52) APLNRCYP2C19CYP1A2ALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329158-B2 Polymers containing poly(hydroxyalkanoates) and agents for use with medical articles and methods of fabricating the same ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2012-12-11 US disclosed
US-20110274733-A1 POLYMERS CONTAINING POLY(HYDROXYALKANOATES) AND AGENTS FOR USE WITH MEDICAL ARTICLES AND METHODS OF FABRICATING THE SAME ADVANCED CARDIOVASCULAR SYSTEMS, INC. 2011-11-10 US disclosed
US-20110274695-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS PIRAMAL LIFE SCIENCES LIMITED 2011-11-10 US disclosed
US-20110269709-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS PIRAMAL LIFE SCIENCES LIMITED 2011-11-03 US disclosed
US-20110269722-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS Piramal Life Science Limited 2011-11-03 US disclosed
US-20110268690-A1 POLYMERS CONTAINING POLY(HYDROXYALKANOATES) AND AGENTS FOR USE WITH MEDICAL ARTICLES AND METHODS OF FABRICATING THE SAME ADVANCED CARDIOVASCULAR SYSTEMS, INC. 2011-11-03 US disclosed
US-8007775-B2 Polymers containing poly(hydroxyalkanoates) and agents for use with medical articles and methods of fabricating the same ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2011-08-30 US disclosed
US-7932294-B2 Prodrugs containing novel bio-cleavable linkers APPARAO SATYAM (IN) 2011-04-26 US disclosed
EP-2269657-A2 Prodrugs containing novel bio-cleavable linkers Piramal Life Sciences Limited (IN) 2011-01-05 EP disclosed
US-7361726-B2 Poly(hydroxyalkanoate-co-ester amides) and agents for use with medical articles ADVANCED CARDIOVASCULAR SYSTEMS INC. (US) 2008-04-22 US disclosed
EP-1851263-A1 POLY(HYDROXYALKANOATE-CO-ESTER AMIDES) AND AGENTS FOR USE WITH MEDICAL ARTICLES Abbott Cardiovascular Systems, Inc. (US) 2007-11-07 EP disclosed
EP-1846476-A1 POLYMERS CONTAINING POLY(HYDROXYALKANOATES) AND AGENTS FOR USE WITH MEDICAL ARTICLES AND METHODS OF FABRICATING THE SAME Abbott Cardiovascular Systems, Inc. (US) 2007-10-24 EP disclosed
US-20070149724-A1 Poly(hydroxyalkanoate-co-ester amides) and agents for use with medical articles ADVANCED CARDIOVASCULAR SYSTEMS, INC. 2007-06-28 US disclosed
US-7202325-B2 Poly(hydroxyalkanoate-co-ester amides) and agents for use with medical articles ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2007-04-10 US disclosed
WO-2006078356-A1 POLY(HYDROXYALKANOATE-CO-ESTER AMIDES) AND AGENTS FOR USE WITH MEDICAL ARTICLES ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2006-07-27 WO disclosed
US-20060160985-A1 POLY(HYDROXYALKANOATE-CO-ESTER AMIDES) AND AGENTS FOR USE WITH MEDICAL ARTICLES ADVANCED CARDIOVASCULAR SYSTEMS, INC. 2006-07-20 US disclosed
WO-2006073631-A1 POLYMERS CONTAINING POLY(HYDROXYALKANOATES) AND AGENTS FOR USE WITH MEDICAL ARTICLES AND METHODS OF FABRICATING THE SAME ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2006-07-13 WO disclosed
US-20060147412-A1 Polymers containing poly(hydroxyalkanoates) and agents for use with medical articles and methods of fabricating the same ADVANCED CARDIOVASCULAR SYSTEMS, INC. 2006-07-06 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 (6 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-20110269722-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS SI, UGT1A1, CYP2B6 APLNR 2637/4885CYP2C19 5/4885CYP1A2 33/4885
US-20110274695-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS SI, UGT1A1, CYP2B6 APLNR 2637/4885CYP2C19 5/4885CYP1A2 33/4885
US-20110268690-A1 POLYMERS CONTAINING POLY(HYDROXYALKANOATES) AND AGENTS FOR USE WITH MEDICAL ARTICLES AND METHODS OF FABRICATING THE SAME LIPA, PUF60, CD68 APLNR 2739/4885CYP2C19 3368/4885CYP1A2 3404/4885
US-20060147412-A1 Polymers containing poly(hydroxyalkanoates) and agents for use with medical articles and methods of fabricating the same PUF60, PLOD3, HGF APLNR 3016/4885CYP2C19 2095/4885CYP1A2 2200/4885
US-20110274733-A1 POLYMERS CONTAINING POLY(HYDROXYALKANOATES) AND AGENTS FOR USE WITH MEDICAL ARTICLES AND METHODS OF FABRICATING THE SAME PUF60, CCL11, TLR3 APLNR 1617/4885CYP2C19 3030/4885CYP1A2 3008/4885
US-20110269709-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS SI, UGT1A1, CYP2B6 APLNR 2637/4885CYP2C19 5/4885CYP1A2 33/4885

“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.