SCHEMBL1996915

SCHEMBL1996915

CO/C=C(/C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 3/20 0.53
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TSHR P16473 2/20 0.48
AKR1C2 P52895 2/20 0.46
AKR1C3 P42330 2/20 0.46
PTGS2 P35354 1/20 0.45
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
POLB P06746 1/20 0.42
AKT1 P31749 1/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL1996920 1.00 AKR1C1 (0.53) AKR1C1ALDH1A1KMT2AMEN1TSHR
SCHEMBL2407093 1.00 AKR1C1 (0.53) AKR1C1ALDH1A1KMT2AMEN1TSHR
SCHEMBL8958591 0.84 TDP1 (0.48) ALDH1A1KMT2AMEN1AKR1C3CES2
SCHEMBL9812652 0.84 CA1 (0.48) ALDH1A1KMT2AMEN1PTGS2CES2
SCHEMBL8635962 0.84 TDP1 (0.48) ALDH1A1KMT2AMEN1AKR1C3CES2
SCHEMBL2812357 0.84 SMN1; SMN2 (0.54) AKR1C1ALDH1A1KMT2AMEN1TSHR
SCHEMBL2997336 0.84 SMN1; SMN2 (0.54) AKR1C1ALDH1A1KMT2AMEN1TSHR
SCHEMBL28704688 0.84 TSHR (0.45) AKR1C1ALDH1A1KMT2AMEN1TSHR
SCHEMBL2812354 0.84 SMN1; SMN2 (0.54) AKR1C1ALDH1A1KMT2AMEN1TSHR
SCHEMBL8958971 0.82 HTT (0.50) AKR1C1ALDH1A1KMT2AMEN1AKR1C2

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3428148-B1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-07-08 EP disclosed
CN-102115458-B Synthetic method of 3-methoxy-2-aryl methyl acrylate compound 大连九信精细化工有限公司 2019-12-13 CN disclosed
EP-3428148-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF Merial, Inc. (US) 2019-01-16 EP disclosed
EP-3088384-B1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL INC (US) 2018-12-12 EP disclosed
EP-3088384-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF Merial, Inc. (US) 2016-11-02 EP disclosed
EP-2155699-B9 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL INC (US) 2016-09-14 EP disclosed
EP-2639228-B1 Aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof MERIAL INC (US) 2016-07-13 EP disclosed
US-9339033-B2 1-aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof MERIAL, INC. (US) 2016-05-17 US disclosed
EP-2035390-B1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof MERIAL INC (US) 2015-12-09 EP disclosed
EP-2155699-B1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL INC (US) 2015-07-08 EP disclosed
EP-2155699-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF Merial Limited (US) 2010-02-24 EP disclosed
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2008-12-18 US disclosed
WO-2008144275-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2008-11-27 WO disclosed
US-20080031902-A1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof MERIAL, INC. 2008-02-07 US disclosed
US-6566547-B1 3-alkoxy-2-phenylacrylic acid derivatives ZENECA LIMITED (GB) 2003-05-20 US disclosed
US-5519048-A 3-(indol-3-yl)-propenoic acid derivatives and pharmaceutical compositions thereof MERRELL PHARMACEUTICALS INC. (US) 1996-05-21 US disclosed
US-5315025-A Acrylate ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-05-24 US disclosed
US-5286894-A Phenyl acrylic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-15 US disclosed
EP-0431328-A2 Fungicides ZENECA LIMITED (GB) 1991-06-12 EP disclosed
EP-0178826-A2 Fungicides ZENECA LIMITED (GB) 1986-04-23 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-20080031902-A1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof CBR3, CBR1, NR5A2 AKR1C1 738/4885ALDH1A1 3749/4885KMT2A 3166/4885
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR AKR1C1 924/4885ALDH1A1 1677/4885KMT2A 278/4885

“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.