SCHEMBL2436339

SCHEMBL2436339

CCC=COC(=O)CCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
ADORA3 P0DMS8 2/20 0.39
NR1I2 O75469 2/20 0.39
PTGS2 P35354 2/20 0.39
PGR P06401 1/20 0.39
PDE4D Q08499 1/20 0.39
OXER1 Q8TDS5 4/20 0.38
CYP19A1 P11511 4/20 0.38
PPARG P37231 3/20 0.38
MAPT P10636 3/20 0.38
RXRA P19793 2/20 0.38
FFAR1 O14842 2/20 0.38
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
TK1 P04183 1/20 0.35

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
SCHEMBL2436338 1.00 ALDH1A1 (0.48) ALDH1A1ADORA3NR1I2PTGS2PGR
SCHEMBL848823 0.91 ADORA3 (0.41) ALDH1A1ADORA3NR1I2PTGS2PGR
SCHEMBL426330 0.91 ADORA3 (0.41) ALDH1A1ADORA3NR1I2PTGS2PGR
SCHEMBL18300565 0.87 ALDH1A1 (0.44) ALDH1A1ADORA3NR1I2PTGS2PGR
SCHEMBL18300566 0.87 ALDH1A1 (0.44) ALDH1A1ADORA3NR1I2PTGS2PGR
SCHEMBL424129 0.86 ALDH1A1 (0.49) ALDH1A1ADORA3NR1I2PTGS2PGR
SCHEMBL515640 0.85 ALDH1A1 (0.57) ALDH1A1TSHRCES2CES1TK1
SCHEMBL1518071 0.85 ALDH1A1 (0.57) ALDH1A1TSHRCES2CES1TK1
SCHEMBL27397396 0.85 DGKA (0.48) ALDH1A1ADORA3NR1I2PTGS2PGR
SCHEMBL3899428 0.84 ADORA3 (0.38) ALDH1A1ADORA3NR1I2PTGS2PGR

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 10 patents. 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
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-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
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
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 disclosed
CN-100586986-C Polyamide-polyether block copolymer ARIZONA CHEM 2010-02-03 CN disclosed
CN-1761696-A Polyamide-polyether block copolymers ARIZONA CHEM (US) 2006-04-19 CN 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-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 ALDH1A1 2342/4885ADORA3 632/4885NR1I2 3654/4885
US-20110251315-A1 Method for the Production of Monofunctionalized Dialkylphosphinic Acids, Esters and Salts, and Use Thereof LPAR6, LPAR2, HAO2 ALDH1A1 3503/4885ADORA3 48/4885NR1I2 1469/4885

“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.