SCHEMBL2930591

SCHEMBL2930591

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
TGFBR1 P36897 1/20 0.38
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL1593747 0.83 MEN1 (0.38) RXFP1TGFBR1ALDH1A1TDP1KDM4E
SCHEMBL5017047 0.81 SLC15A1 (0.41) RXFP1TGFBR1ALDH1A1TDP1KDM4E
SCHEMBL2608298 0.79
SCHEMBL7171041 0.78 ALDH1A1 (0.45) RXFP1TGFBR1ALDH1A1TDP1KDM4E
SCHEMBL78126 0.78 ALDH1A1 (0.45) RXFP1TGFBR1ALDH1A1TDP1KDM4E
SCHEMBL15274732 0.75
SCHEMBL8685534 0.74 RXFP1 (0.33) RXFP1TGFBR1
SCHEMBL2775 0.74 GAA (0.37) RXFP1ALDH1A1KDM4E
SCHEMBL29342177 0.74 CETP (0.32) ALDH1A1KDM4E
SCHEMBL28073690 0.73

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 RXFP1 1464/4885TGFBR1 2383/4885ALDH1A1 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 RXFP1 2296/4885TGFBR1 2481/4885ALDH1A1 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.