SCHEMBL93812

SCHEMBL93812

CCN(CC)CCNC(=O)CCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP3A4 P08684 1/20 0.44
PHF8 Q9UPP1 3/20 0.44
KDM2A Q9Y2K7 3/20 0.44
KDM7A Q6ZMT4 1/20 0.44
DNM1 Q05193 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
TSHR P16473 1/20 0.42
ACHE P22303 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
BLM P54132 1/20 0.41
PMP22 Q01453 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
Hydrochloric Acid SCHEMBL93987 0.98 GAA (0.48) GAACYP1A2CYP2D6CYP3A4PHF8
SCHEMBL5838840 0.88 PHF8 (0.46) PHF8KDM2AKDM7ADNM1ALDH1A1
SCHEMBL22383271 0.87 GAA (0.44) GAACYP1A2CYP2D6CYP3A4DNM1
SCHEMBL15468358 0.84 CASP2 (0.53) GAACYP1A2CYP2D6CYP3A4DNM1
SCHEMBL27665153 0.84 KDM5A (0.53) PHF8DNM1ALDH1A1KMT2ALMNA
Stearic Acid SCHEMBL21245471 0.83 DNM1 (0.64) DNM1ALDH1A1KMT2ATSHRMEN1
SCHEMBL93986 0.83 CYP1A2 (0.44) GAACYP1A2CYP2D6CYP3A4DNM1
SCHEMBL12251401 0.83 PHF8 (0.44) GAAPHF8KDM2AKDM7ADNM1
SCHEMBL24626058 0.82 CYP1A2 (0.46) GAACYP1A2CYP2D6CYP3A4DNM1
Hydrochloric Acid SCHEMBL27665152 0.82 KDM5A (0.51) PHF8DNM1ALDH1A1KMT2ALMNA

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
CN-101166719-B Bcrp/abcg2 inhibitor YAKULT HONSHA KK 2012-11-07 CN claimed
CN-101166719-A BCRP/ABCG2 Inhibitors YAKULT HONSHA KK (JP) 2008-04-23 CN claimed
US-20180344859-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME ALUMEND, LLC (US) 2018-12-06 US disclosed
US-20180344858-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME ALUMEND, LLC (US) 2018-12-06 US disclosed
US-9884121-B2 Biomaterials and a method for making and using same ALUMEND, LLC (US) 2018-02-06 US disclosed
US-9855337-B2 Biomaterials and a method for making and using the same ALUMEND, LLC (US) 2018-01-02 US disclosed
US-20160175449-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME ALUMEND, LLC (US) 2016-06-23 US disclosed
CN-101166719-B Bcrp/abcg2 inhibitor YAKULT HONSHA KK 2012-11-07 CN disclosed
EP-2114370-B1 NOVEL BIOMATERIALS FOR OCULAR DRUG DELIVERY AND A METHOD FOR MAKING AND USING SAME ALLERGAN INC (US) 2012-10-03 EP disclosed
US-8252771-B2 A modified chitosan and a prostaglandin, prostamide, non-steroidal anti-inflammatory drug, or a corticosteroid; opthalmic drug delivery solution; improved bioavailability ALLERGAN, INC. (US) 2012-08-28 US disclosed
EP-2425816-A2 A pharmaceutical composition for use in treating an ocular disease or condition and a method for producing the composition Allergan, Inc. (US) 2012-03-07 EP disclosed
EP-2114370-A2 NOVEL BIOMATERIALS FOR OCULAR DRUG DELIVERY AND A METHOD FOR MAKING AND USING SAME Allergan, Inc. (US) 2009-11-11 EP disclosed
US-20080207561-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME ALLERGAN, INC. 2008-08-28 US disclosed
US-20080200948-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME PHOTOBIOMED CORPORATION (US) 2008-08-21 US disclosed
WO-2008094659-A2 NOVEL BIOMATERIALS FOR OCULAR DRUG DELIVERY AND A METHOD FOR MAKING AND USING SAME ALLERGAN, INC. (US) 2008-08-07 WO disclosed
WO-2008094675-A2 NOVEL BIOMATERIALS AND METHODS FOR MAKING AND USING SAME PHOTOBIOMED CORPORATION (US) 2008-08-07 WO disclosed
CN-101166719-A BCRP/ABCG2 Inhibitors YAKULT HONSHA KK (JP) 2008-04-23 CN disclosed
CN-1882548-A pH-sensitive prodrugs of 2, 6-diisopropylphenol AUSPEX PHARMACEUTICALS INC (US) 2006-12-20 CN 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 (5 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-20080200948-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME MMP1, PLOD3, MMP2 GAA 47/4885CYP1A2 2359/4885CYP2D6 1698/4885
US-20180344859-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME MMP1, PLOD3, MMP2 GAA 47/4885CYP1A2 2359/4885CYP2D6 1698/4885
US-20180344858-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME MMP1, PLOD3, MMP2 GAA 47/4885CYP1A2 2359/4885CYP2D6 1698/4885
US-20160175449-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME MMP1, PLOD3, MMP2 GAA 47/4885CYP1A2 2359/4885CYP2D6 1698/4885
US-20080207561-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME PTGES, PTGES2, PTGIS GAA 4656/4885CYP1A2 1366/4885CYP2D6 2596/4885

“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.