SCHEMBL4947744

SCHEMBL4947744

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 4/20 0.37
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.34
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRNB2 P17787 1/20 0.31
NFKB1 P19838 1/20 0.31
CHRM3 P20309 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
LMNA P02545 1/20 0.30
APEX1 P27695 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
EPHX1 P07099 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
SCHEMBL26853304 0.82 ALDH1A1 (0.55) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL9226621 0.80 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL14084915 0.79
SCHEMBL11548091 0.78 ALDH1A1 (0.50) ALDH1A1TSHRTDP1THRBCHRM2
SCHEMBL1055057 0.78 ALDH1A1 (0.50) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL28170047 0.78 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL15963 0.78 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL6916163 0.76 EPHX1 (0.36) ALDH1A1CHRM2CHRM4CHRM5CYP2D6
SCHEMBL28390434 0.76 ALDH1A1 (0.48) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL8953021 0.75 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HSD17B10THRB

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
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-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
US-5892100-A DEHYDROHALOGENATION BY REACTION OF UNSATURATED ACID HALIDES WITH CARBAMATE IN THE PRESENCE OF HINDERED AMINE NIPPON PAINT CO., LTD. (JP) 1999-04-06 US disclosed
EP-0827953-A2 Method for producing N-acyl carbamate Nippon Paint Co., Ltd. (JP) 1998-03-11 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 (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-20040223945-A1 Stimuti-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same CREB1, STIM2, GABRE ALDH1A1 3954/4885TSHR 2438/4885TDP1 4182/4885

“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.