SCHEMBL1097809

SCHEMBL1097809

CC=C(C(=O)OC)c1ccccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 5/20 0.59
NPC1 O15118 1/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 2/20 0.50
BRD4 O60885 1/20 0.50
LIPE Q05469 1/20 0.49
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL9642440 1.00 SGMS2 (0.59) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL6938166 0.90 SGMS2 (0.58) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL10443318 0.90 SGMS2 (0.58) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL7164705 0.89 SGMS2 (0.57) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL1097807 0.89 SGMS2 (0.57) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL712291 0.89 SGMS2 (0.57) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL8827709 0.87 SGMS2 (0.56) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL9731418 0.86 SGMS2 (0.50) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL9643397 0.84 SGMS2 (0.60) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL14003834 0.82 SGMS2 (0.55) SGMS2NPC1LMNAMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6566547-B1 3-alkoxy-2-phenylacrylic acid derivatives ZENECA LIMITED (GB) 2003-05-20 US claimed
US-4709078-A Acrylates, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1987-11-24 US claimed
EP-2148854-B1 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM STOUTAMIRE DONALD WESLEY (US) 2013-02-20 EP disclosed
US-8153688-B2 Esters of 2-phenylalkanenitriles and antifungal compositions containing them MCS Laboratories, Inc. (US) 2012-04-10 US disclosed
US-20100022640-A1 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM MCS LABORATORIES INC. 2010-01-28 US disclosed
US-7622504-B2 Esters of 2-phenylalkanenitriles and antifungal compositions containing them MCS Laboratories, Inc. (US) 2009-11-24 US disclosed
US-20080153905-A1 Esters of 2-phenylalkanenitriles and antifungal compositions containing them MCS LABORATORIES INC. 2008-06-26 US disclosed
US-5633256-A Certain pyrimidinyloxy-phenyl acrylates, derivatives thereof and their fungicidal use ZENECA LIMITED (GB) 1997-05-27 US disclosed
US-5602076-A INSECTICIDES, NEMATOCIDES ZENECA LIMITED (GB) 1997-02-11 US disclosed
US-5470819-A Plant growth regulators, insecticides ZENECA LIMITED (GB) 1995-11-28 US disclosed
US-5378711-A α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
US-5157037-A α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1992-10-20 US disclosed
US-5057146-A CERTAIN 2-PYRIDYL OXY-PHENYL ACRYLATES HAVING FUNGICIDAL, INSECTICIDAL, NEMATOCIDAL AND PLANT GROWTH REGULATING ACTIVITY IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-15 US disclosed
US-5008438-A Ortho-substituted phenol ethers and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed
EP-0391451-A1 Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-10 EP disclosed
EP-0387923-A2 Fungicides ZENECA LIMITED (GB) 1990-09-19 EP disclosed
US-4937372-A Substituted crotonates and fungicides containing them BASF AKTIENGESELLSCHAFT (DE) 1990-06-26 US disclosed
US-4822908-A Substituted acrylates and fungicides containing same BASF AKTIENGESELLSCHAFT (DE) 1989-04-18 US disclosed
US-4709078-A Acrylates, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1987-11-24 US disclosed
EP-0242081-A1 Fungicides ZENECA LIMITED (GB) 1987-10-21 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-20100022640-A1 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM CYP51A1, ERG28, AKR7A2 SGMS2 117/4885NPC1 182/4885LMNA 3014/4885
US-20080153905-A1 Esters of 2-phenylalkanenitriles and antifungal compositions containing them CYP51A1, ERG28, AKR7A2 SGMS2 117/4885NPC1 182/4885LMNA 3014/4885

“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.