SCHEMBL2779247

SCHEMBL2779247

C=CC(=O)NC(C)(OCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 4/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
ACACB O00763 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.31
TGM2 P21980 1/20 0.30

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
SCHEMBL2792549 0.82 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL3376906 0.80 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL1994076 0.78 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL4909167 0.77 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL28537745 0.76 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL9141611 0.74 ALDH1A1 (0.38) ALDH1A1TSHRKMT2AMAPK1PKM
SCHEMBL22702010 0.73 PKM (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL460924 0.72 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL1907643 0.72 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
Acrylic Acid Ethyl Ester SCHEMBL21611349 0.72 TSHR (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9017726-B2 Biodegradable and thermosensitive poly(organophosphazene)-superparamagnetic nanoparticle complex, preparation method and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-04-28 US disclosed
US-8586020-B2 Poly(organophosphazene) composition for biomaterials KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-11-19 US disclosed
US-20130004455-A1 POLY(ORGANOPHOSPHAZENE) COMPOSITION FOR BIOMATERIALS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-01-03 US disclosed
EP-2540764-A2 Poly(organophosphazene) composition for biomaterials Korea Institute of Science and Technology (KR) 2013-01-02 EP disclosed
US-8313771-B2 Phosphazene hydrogels with chemical corss-link, preparation method thereof and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-20 US disclosed
US-20120121517-A1 BIODEGRADABLE AND THERMOSENSITIVE POLY(ORGANOPHOSPHAZENE)-SUPERPARAMAGNETIC NANOPARTICLE COMPLEX, PREPARATION METHOD AND USE THEREOF Korean Institute of Science and Technology of Seoul, Republic of Korea 2012-05-17 US disclosed
US-20100297155-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS-LINK, PREPARATION METHOD THEREOF AND USE THEREOF DECA ITALIA S.R.L. (IT) 2010-11-25 US disclosed
EP-2155806-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS -LINK, PREPARATION METHOD THEREOF AND USE THEREOF Korea Institute of Science and Technology (KR) 2010-02-24 EP disclosed
WO-2008153278-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS -LINK, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-12-18 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 (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-20130004455-A1 POLY(ORGANOPHOSPHAZENE) COMPOSITION FOR BIOMATERIALS PHOSPHO1, PGLS, PHYKPL ALDH1A1 2323/4885CYP3A4 1110/4885CYP2C9 1320/4885
US-20120121517-A1 BIODEGRADABLE AND THERMOSENSITIVE POLY(ORGANOPHOSPHAZENE)-SUPERPARAMAGNETIC NANOPARTICLE COMPLEX, PREPARATION METHOD AND USE THEREOF PHOSPHO1, HSPA2, FEM1B ALDH1A1 4557/4885CYP3A4 3392/4885CYP2C9 2806/4885
US-20100297155-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS-LINK, PREPARATION METHOD THEREOF AND USE THEREOF PRUNE1, PHYKPL, PAPSS1 ALDH1A1 750/4885CYP3A4 619/4885CYP2C9 233/4885

“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.