SCHEMBL1097807

SCHEMBL1097807

COC=C(C(=O)OC)c1ccccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 5/20 0.57
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
BRD4 O60885 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
SCHEMBL7164705 1.00 SGMS2 (0.57) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL712291 1.00 SGMS2 (0.57) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL9642440 0.89 SGMS2 (0.59) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL1097809 0.89 SGMS2 (0.59) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL10442994 0.89 SGMS2 (0.52) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL5046789 0.89 SGMS2 (0.52) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL5046787 0.89 SGMS2 (0.52) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL9647587 0.88 SGMS2 (0.47) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL9730334 0.88 SGMS2 (0.47) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL10443318 0.88 SGMS2 (0.58) 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 27 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
EP-0203608-B2 ACRYLIC-ACID ESTERS AND FUNGICIDES CONTAINING THESE COMPOUNDS BASF Aktiengesellschaft (DE) 1989-09-06 EP claimed
EP-0203608-B1 ACRYLIC-ACID ESTERS AND FUNGICIDES CONTAINING THESE COMPOUNDS BASF Aktiengesellschaft (DE) 1988-01-07 EP claimed
US-4709078-A Acrylates, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1987-11-24 US claimed
EP-0203608-A1 Acrylic-acid esters and fungicides containing these compounds BASF Aktiengesellschaft (DE) 1986-12-03 EP 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
EP-0178826-B2 Fungicides SYNGENTA LTD (GB) 2003-04-09 EP disclosed
EP-0350691-B2 Heterocyclically substituted alpha-aryl-acrylic-acid esters, and fungicides containing these compounds BASF AG (DE) 1999-07-28 EP disclosed
US-5008438-A Ortho-substituted phenol ethers and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed
EP-0251082-B1 SUBSTITUTED ACRYLIC ACID ESTERS AND FUNGICIDES CONTAINING THESE COMPOUNDS BASF Aktiengesellschaft (DE) 1990-05-23 EP disclosed
EP-0350691-A2 Heterocyclically substituted alpha-aryl-acrylic-acid esters, and fungicides containing these compounds BASF Aktiengesellschaft (DE) 1990-01-17 EP disclosed
EP-0336211-A1 Ortho-substituted phenol ethers and fungicides containing them BASF Aktiengesellschaft (DE) 1989-10-11 EP disclosed
EP-0331966-A1 Substituted acrylic-acid esters BAYER AG (DE) 1989-09-13 EP disclosed
US-4822908-A Substituted acrylates and fungicides containing same BASF AKTIENGESELLSCHAFT (DE) 1989-04-18 US disclosed
EP-0251082-A2 Substituted acrylic acid esters and fungicides containing these compounds BASF Aktiengesellschaft (DE) 1988-01-07 EP disclosed
US-4709078-A Acrylates, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1987-11-24 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 (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.