SCHEMBL204713

SCHEMBL204713

C=C(C)C(=O)OC(C)C[O]

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.36
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL33467 0.86 TSHR (0.48) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL28322566 0.84 TSHR (0.47) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL28322415 0.84 TSHR (0.47) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL27805092 0.84 TSHR (0.47) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL2544205 0.84 TSHR (0.50) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL2540758 0.84 TSHR (0.50) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL2013862 0.82 TSHR (0.54) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL15318827 0.82 TSHR (0.48) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL15751663 0.82 TSHR (0.48) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL377956 0.82 TSHR (0.48) TSHRALDH1A1THRBCHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023013489-A1 ADHESIVE AGENT COMPOSITION, ADHESIVE AGENT AND ADHESIVE SHEET 三菱ケミカル株式会社 2023-02-09 WO disclosed
EP-4130081-A1 COMPOUND AND POLYMER COMPOSITION INCLUDING SAID COMPOUND Mitsubishi Chemical Corporation (JP) 2023-02-08 EP disclosed
US-20230022690-A1 Compound and Polymer Composition Including Said Compound MITSUBISHI CHEMICAL CORPORATION (JP) 2023-01-26 US disclosed
EP-2738188-B1 MONOLAYER FILM AND HYDROPHILIC MATERIAL COMPRISING SAME MITSUI CHEMICALS INC (JP) 2019-05-22 EP disclosed
EP-2738188-A1 MONOLAYER FILM AND HYDROPHILIC MATERIAL COMPRISING SAME Mitsui Chemicals, Inc. (JP) 2014-06-04 EP disclosed
US-8742059-B2 Polymer precursor, high transparency polyimide precursor, polymer compound, resin composition and article using thereof DAI NIPPON PRINTING CO., LTD. (JP) 2014-06-03 US disclosed
EP-1864645-B1 FLUORINE ION-RELEASABLE COMPOSITION FOR DENTAL PURPOSES KURARAY NORITAKE DENTAL INC (JP) 2013-05-22 EP disclosed
US-20120122033-A1 POLYMER PRECURSOR, HIGH TRANSPARENCY POLYIMIDE PRECURSOR, POLYMER COMPOUND, RESIN COMPOSITION AND ARTICLE USING THEREOF DAI NIPPON PRINTING CO., LTD. (JP) 2012-05-17 US disclosed
US-8088882-B2 Polymer precursor, high transparency polyimide precursor, polymer compound, resin composition and article using thereof DAI NIPPON PRINTING CO., LTD. (JP) 2012-01-03 US disclosed
US-20090068123-A1 FLUORINE ION-RELEASABLE COMPOSITION FOR DENTAL PURPOSES KURARAY MEDICAL INC (JP) 2009-03-12 US disclosed
EP-1864645-A1 FLUORINE ION-RELEASABLE COMPOSITION FOR DENTAL PURPOSES Kuraray Medical Inc. (JP) 2007-12-12 EP disclosed
EP-1346717-B1 One-bottle dental bonding composition DENTSPLY SANKIN K K (JP) 2007-05-23 EP disclosed
US-7129281-B2 One-bottle dental bonding composition DENTSPLY-SANKIN K.K. (JP) 2006-10-31 US disclosed
US-20060229384-A1 Polymer precursor, high transparency polyimide precursor, polymer compound, resin composition and article using thereof DAI NIPPON PRINTING CO., LTD. (JP) 2006-10-12 US disclosed
EP-1402872-A1 Light-curable dental adhesive composition DENTSPLY-SANKIN K.K. (JP) 2004-03-31 EP disclosed
US-20040054028-A1 Light-curable dental adhesive composition HATTORI NOBUYUKI (JP) 2004-03-18 US disclosed
US-20030187092-A1 One-bottle dental bonding composition DENTSPLY-SANKIN K.K. (JP) 2003-10-02 US disclosed
EP-1346717-A1 One-bottle dental bonding composition DENTSPLY-SANKIN K.K. (JP) 2003-09-24 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-20090068123-A1 FLUORINE ION-RELEASABLE COMPOSITION FOR DENTAL PURPOSES ITGA5, ITGAL, PHOSPHO1 TSHR 1780/4885ALDH1A1 3682/4885THRB 2470/4885
US-20230022690-A1 Compound and Polymer Composition Including Said Compound PCNA, PARP1, PARG TSHR 4865/4885ALDH1A1 2594/4885THRB 4846/4885

“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.