SCHEMBL2106039

SCHEMBL2106039

CC(C)C(C)(N=C=O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL1274256 1.00 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL11697926 0.81
SCHEMBL7955782 0.79
SCHEMBL7955442 0.78
SCHEMBL6862335 0.75 TSHR (0.38) ALDH1A1TSHR
SCHEMBL1521232 0.75 TSHR (0.38) ALDH1A1TSHR
SCHEMBL9232225 0.72
SCHEMBL29078866 0.71 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL7186091 0.71 CYP1A2 (0.34)
SCHEMBL5319345 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030180665-A1 Ionization radiation imageable photopolymer compositions WANG YING (US) 2003-09-25 US claimed
US-6569602-B1 Radiation curable mixtures comprising monomers, curing agents, sensitizers, binders and/or fillers used for lithography, stereolithography, photoresists and ceramics E. I. DU PONT DE NEMOURS AND COMPANY 2003-05-27 US claimed
EP-1121623-A1 IONIZATION RADIATION IMAGEABLE PHOTOPOLYMER COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-08-08 EP claimed
WO-2000020926-A9 IONIZATION RADIATION IMAGEABLE PHOTOPOLYMER COMPOSITIONS DU PONT (US) 2000-09-14 WO claimed
WO-2000020926-A1 IONIZATION RADIATION IMAGEABLE PHOTOPOLYMER COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-04-13 WO claimed
US-8158675-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-04-17 US disclosed
US-20100093775-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2010-04-15 US disclosed
EP-1212295-B1 SUBSTITUTED ALPHA-HYDROXY ACID CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2008-10-01 EP disclosed
US-6916598-B2 Ionization radiation imageable photopolymer compositions E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-07-12 US disclosed
US-20030180665-A1 Ionization radiation imageable photopolymer compositions WANG YING (US) 2003-09-25 US disclosed
US-6569602-B1 Radiation curable mixtures comprising monomers, curing agents, sensitizers, binders and/or fillers used for lithography, stereolithography, photoresists and ceramics E. I. DU PONT DE NEMOURS AND COMPANY 2003-05-27 US disclosed
US-6495522-B1 PREVENTING APOPTOTIC CELL DEATH IN WHICH THE LOSS OF CELLS, TISSUES OR ENTIRE ORGANS OCCURS CYTOVIA, INC. 2002-12-17 US disclosed
EP-1121623-A1 IONIZATION RADIATION IMAGEABLE PHOTOPOLYMER COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-08-08 EP disclosed
WO-2000020926-A9 IONIZATION RADIATION IMAGEABLE PHOTOPOLYMER COMPOSITIONS DU PONT (US) 2000-09-14 WO disclosed
WO-2000020926-A1 IONIZATION RADIATION IMAGEABLE PHOTOPOLYMER COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-04-13 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 (1 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-20100093775-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS ZC3HAV1, YBX1, HAX1 ALDH1A1 693/4885TSHR 3328/4885

“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.