SCHEMBL2434823

SCHEMBL2434823

C/C=C\OC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
LMNA P02545 2/20 0.52
F2 P00734 1/20 0.52
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.44
PLA2G7 Q13093 1/20 0.43
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
SLC6A3 Q01959 2/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
POLB P06746 1/20 0.42
SLC6A2 P23975 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 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
SCHEMBL628707 1.00 TSHR (0.54) TSHRLMNAF2ALDH1A1TDP1
SCHEMBL23945318 1.00 TSHR (0.54) TSHRLMNAF2ALDH1A1TDP1
SCHEMBL28182671 0.87 LMNA (0.61) TSHRLMNAF2ALDH1A1TDP1
SCHEMBL72654 0.83 TSHR (0.58) TSHRLMNAF2ALDH1A1TDP1
SCHEMBL17714426 0.82 TSHR (0.57) TSHRLMNAF2ALDH1A1TDP1
SCHEMBL3234177 0.82 TSHR (0.57) TSHRLMNAF2ALDH1A1TDP1
SCHEMBL2971855 0.81 LMNA (0.54) TSHRLMNAF2ALDH1A1TDP1
SCHEMBL28041527 0.81 TSHR (0.47) TSHRLMNAALDH1A1TDP1HSD17B10
Benzoic Acid Vinyl Ester SCHEMBL28299446 0.80 TSHR (0.50) TSHRLMNAF2ALDH1A1TDP1
SCHEMBL27757178 0.80 TSHR (0.50) TSHRLMNAF2ALDH1A1TDP1

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-9279085-B2 Method for the production of monofunctionalized dialkylphosphinic acids, esters and salts, and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2016-03-08 US claimed
US-8735476-B2 Method for producing mono-carboxy-functionalized dialkylphosphinic acids, esters and salts using a vinyl ester of a carboxylic acid and the use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2014-05-27 US claimed
EP-2373667-B1 METHOD FOR PRODUCING MONO-CARBOXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS USING A VINYL ESTER OF A CARBOXYLIC ACID AND THE USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2013-12-11 EP claimed
US-20110237721-A1 Method for Producing Mono-Carboxy-Functionalized Dialkylphosphinic Acids, Esters and Salts Using a Vinyl Ester of a Carboxylic Acid and the Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-29 US claimed
EP-2726202-B1 METHOD FOR THE PREPARATION OF PALLADIUM(I) TRI-TERT-BUTYLPHOSPHINE BROMIDE DIMER UMICORE AG & CO KG (DE) 2018-05-16 EP disclosed
US-9279085-B2 Method for the production of monofunctionalized dialkylphosphinic acids, esters and salts, and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2016-03-08 US disclosed
US-9192927-B2 Method for the preparation of palladium(I) tri-tert-butylphosphine bromide dimer and process for its use in isomerization reactions UMICORE AG & CO. KG (DE) 2015-11-24 US disclosed
US-20140187803-A1 Method for the Preparation of Palladium(I) Tri-Tert-Butylphosphine Bromide Dimer and Process for its Use in Isomerization Reactions UMICORE AG & CO. KG (DE) 2014-07-03 US disclosed
US-8735476-B2 Method for producing mono-carboxy-functionalized dialkylphosphinic acids, esters and salts using a vinyl ester of a carboxylic acid and the use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2014-05-27 US disclosed
EP-2726202-A1 METHOD FOR THE PREPARATION OF PALLADIUM(I) TRI-TERT-BUTYLPHOSPHINE BROMIDE DIMER AND PROCESS FOR ITS USE IN ISOMERIZATION REACTIONS Umicore AG & Co. KG (DE) 2014-05-07 EP disclosed
WO-2013000874-A1 METHOD FOR THE PREPARATION OF PALLADIUM(I) TRI-TERT-BUTYLPHOSPHINE BROMIDE DIMER AND PROCESS FOR ITS USE IN ISOMERIZATION REACTIONS UMICORE AG & CO. KG (DE) 2013-01-03 WO disclosed
US-20110251315-A1 Method for the Production of Monofunctionalized Dialkylphosphinic Acids, Esters and Salts, and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-10-13 US disclosed
EP-1268493-B1 PHOSPHORAMIDATE PRODRUGS PURDUE RESEARCH FOUNDATION (US) 2006-02-15 EP disclosed
US-20050171060-A1 Phosphoramidates and methods therefor NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-04 US disclosed
US-6903081-B2 Phosphoramidates and methods therefor PURDUE RESEARCH FOUNDATION (US) 2005-06-07 US disclosed
EP-1268493-A1 PHOSPHORAMIDATE PRODRUGS PURDUE RESEARCH FOUNDATION (US) 2003-01-02 EP disclosed
US-20020004594-A1 Phosphoramidates and methods therefor NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-01-10 US disclosed
WO-2001074827-A1 PHOSPHORAMIDATE PRODRUGS PURDUE RESEARCH FOUNDATION (US) 2001-10-11 WO disclosed
EP-0513331-A1 AZEOTROPIC ASSISTED TRANSVINYLATION TECHNOLOGY UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-11-19 EP disclosed
WO-1992009554-A1 AZEOTROPIC ASSISTED TRANSVINYLATION TECHNOLOGY UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-06-11 WO 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 (5 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-20140187803-A1 Method for the Preparation of Palladium(I) Tri-Tert-Butylphosphine Bromide Dimer and Process for its Use in Isomerization Reactions CBR3, TRRAP, TERB1 TSHR 78/4885LMNA 3260/4885F2 940/4885
US-20020004594-A1 Phosphoramidates and methods therefor WEE1, HASPIN, WEE2 TSHR 3813/4885LMNA 3858/4885F2 4652/4885
US-20110237721-A1 Method for Producing Mono-Carboxy-Functionalized Dialkylphosphinic Acids, Esters and Salts Using a Vinyl Ester of a Carboxylic Acid and the Use Thereof SCO2, HAO2, DAO TSHR 1600/4885LMNA 2720/4885F2 502/4885
US-20110251315-A1 Method for the Production of Monofunctionalized Dialkylphosphinic Acids, Esters and Salts, and Use Thereof LPAR6, LPAR2, HAO2 TSHR 83/4885LMNA 3960/4885F2 1559/4885
US-20050171060-A1 Phosphoramidates and methods therefor WEE1, HASPIN, WEE2 TSHR 3813/4885LMNA 3858/4885F2 4652/4885

“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.