SCHEMBL2930772

SCHEMBL2930772

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TGFBR1 P36897 1/20 0.35
LMNA P02545 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAOB P27338 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2A1 P68400 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL27824385 0.85 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL13289278 0.83 TSHR (0.37) TSHRALDH1A1TGFBR1L3MBTL1
SCHEMBL7411217 0.81 SMN1; SMN2 (0.48) TSHRSMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL357937 0.78 ALDH1A1 (0.49) TSHRALDH1A1HSD17B10LMNAL3MBTL1
SCHEMBL13684833 0.78 TSHR (0.33) TSHRALDH1A1TGFBR1LMNAL3MBTL1
SCHEMBL13684163 0.76 TSHR (0.33) TSHRALDH1A1TGFBR1LMNA
SCHEMBL2930578 0.76 ALDH1A1 (0.34) TSHRALDH1A1TGFBR1L3MBTL1
SCHEMBL28014223 0.75 TSHR (0.65) TSHRSMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL2930085 0.74 TSHR (0.40) TSHRSMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL8904967 0.74 CYP3A4 (0.56) TSHRALDH1A1MAPK1HSD17B10LMNA

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-7732550-B2 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY MITI (JP) 2010-06-08 US disclosed
EP-0922715-B1 Stimuli-responsive polymer utilizing keto-enol tautomerization AGENCY IND SCIENCE TECHN (JP) 2008-04-02 EP disclosed
US-6858694-B2 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY MITI (JP) 2005-02-22 US disclosed
US-6852819-B2 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY MITI (JP) 2005-02-08 US disclosed
US-20040223947-A1 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same JNC CORPORATION (JP) 2004-11-11 US disclosed
US-20040223945-A1 Stimuti-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same JNC CORPORATION (JP) 2004-11-11 US disclosed
US-20020188084-A1 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same JNC CORPORATION (JP) 2002-12-12 US disclosed
EP-0922715-A2 Stimuli-responsive polymer utilizing keto-enol tautomerization AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY MITI (JP) 1999-06-16 EP 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-20040223945-A1 Stimuti-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same CREB1, STIM2, GABRE TSHR 2438/4885SMN1; SMN2 2126/4885ALDH1A1 3954/4885
US-20040223947-A1 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same ACMSD, ADSL, CREB1 TSHR 2258/4885SMN1; SMN2 3133/4885ALDH1A1 3055/4885

“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.