SCHEMBL13613127

SCHEMBL13613127

C/C=C(/C)C(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
HCAR2 Q8TDS4 1/20 0.39
ADRA1A P35348 1/20 0.39
PDE4D Q08499 1/20 0.39
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTP4A3 O75365 1/20 0.33
PTP4A2 Q12974 1/20 0.33
PTP4A1 Q93096 1/20 0.33
CA12 O43570 5/20 0.31
CA1 P00915 5/20 0.31
CA2 P00918 5/20 0.31
CA9 Q16790 5/20 0.31
CA7 P43166 4/20 0.31
CA14 Q9ULX7 4/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 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
SCHEMBL666918 1.00 TSHR (0.50) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL1532594 1.00 TSHR (0.50) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL3338061 0.97 TSHR (0.48) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL448478 0.97 TSHR (0.48) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL10948804 0.84 TSHR (0.38) TSHRHCAR2MAPT
SCHEMBL2598286 0.82 TSHR (0.48) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL10687993 0.82 TSHR (0.48) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL17472929 0.82 TSHR (0.36) TSHR
SCHEMBL173350 0.82 TSHR (0.36) TSHR
SCHEMBL173352 0.82 TSHR (0.36) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114930630-A Inorganic coating crosslinked separator 旭化成株式会社 2022-08-19 CN disclosed
CN-114342145-A Nonaqueous secondary battery and nonaqueous electrolyte 旭化成株式会社 2022-04-12 CN disclosed
CN-114287077-A Nonaqueous electrolyte solution, battery pack, and method for producing battery pack 旭化成株式会社 2022-04-05 CN disclosed
CN-114223094-A Composite single-layer chemically cross-linked separator 旭化成株式会社 2022-03-22 CN disclosed
CN-114175385-A Composite laminated chemically cross-linked separator 旭化成株式会社 2022-03-11 CN disclosed
WO-2020144873-A1 OFF-FLAVOR INHIBITOR 長岡香料株式会社 2020-07-16 WO disclosed
US-20180332878-A1 BITTER TASTE INHIBITOR NAGAOKA CO., LTD. (JP) 2018-11-22 US disclosed
US-20180332879-A1 AGENT FOR IMPROVING AFTERTASTE HAVING HIGH INTENSITY SWEETENERS NAGAOKA CO., LTD. (JP) 2018-11-22 US disclosed
US-9404131-B2 Process for the preparation of ingenol-3-angelate LEO LABORATORIES LIMITED (IE) 2016-08-02 US disclosed
US-20150024443-A1 PROCESS FOR THE PREPARATION OF INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2015-01-22 US disclosed
US-20090325971-A1 Pentacyclic Alkaloid Compounds and Methods of Use Thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-12-31 US 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-20090325971-A1 Pentacyclic Alkaloid Compounds and Methods of Use Thereof CIAPIN1, CCR5, CPB1 TSHR 3651/4885HCAR2 835/4885ADRA1A 4129/4885

“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.