SCHEMBL421653

SCHEMBL421653

CCCC(=O)OCCCCOC(=O)CCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.60
DGKA P23743 1/20 0.60
HTR2C P28335 1/20 0.57
ALDH1A1 P00352 2/20 0.55
RAD52 P43351 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
FAAH O00519 1/20 0.48
DNM1 Q05193 1/20 0.48
ADRA2A P08913 1/20 0.46
ADRA1A P35348 1/20 0.46
EPHX1 P07099 1/20 0.45
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
ATM Q13315 1/20 0.44
EPHX2 P34913 1/20 0.44
TSHR P16473 1/20 0.43
ACHE P22303 1/20 0.43

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
Pentane-1,5-Dibutanoate SCHEMBL15705199 0.97 NAAA (0.64) NAAADGKAHTR2CALDH1A1RAD52
SCHEMBL420094 0.97 NAAA (0.64) NAAADGKAHTR2CALDH1A1RAD52
SCHEMBL117196 0.95 NAAA (0.68) NAAADGKAHTR2CALDH1A1RAD52
SCHEMBL1871180 0.95 NAAA (0.68) NAAADGKAHTR2CALDH1A1RAD52
SCHEMBL5930623 0.95 DGKA (0.60) NAAADGKAHTR2CALDH1A1RAD52
SCHEMBL1171560 0.93 NAAA (0.72) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL2891994 0.93 NAAA (0.72) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL128168 0.93 NAAA (0.72) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL10149466 0.93 NAAA (0.72) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL21044646 0.93 NAAA (0.72) NAAADGKAHTR2CRAD52NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102171228-B Method for producing mono-hydroxy-functionalized dialkylphosphinic acids, esters and salts by means of vinyl esters of carboxylic acids and use thereof CLARIANT FINANCE BVI LTD 2015-03-25 CN claimed
CN-102171227-B Method for producing mono-carboxy-functionalized dialkylphosphinic acids, esters and salts using a vinyl ester of a carboxylic acid and the use thereof CLARIANT INT LTD 2014-11-12 CN claimed
CN-102171228-A Method for producing mono-hydroxy-functionalized dialkylphosphinic acids, esters and salts by means of vinyl esters of carboxylic acids and use thereof CLARIANT INT LTD 2011-08-31 CN claimed
CN-102171227-A Method for producing mono-carboxy-functionalized dialkylphosphinic acids, esters and salts using a vinyl ester of a carboxylic acid and the use thereof CLARIANT INT LTD 2011-08-31 CN claimed
US-9700627-B2 Biodegradable poly (beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-07-11 US disclosed
US-9481658-B2 Optical film, retardation plate, elliptica polarizing plate, liquid crystal display device and compound FUJIFILM CORPORATION (JP) 2016-11-01 US disclosed
US-20160022821-A1 BIODEGRADABLE POLY (BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-28 US disclosed
US-9101666-B2 Biodegradable poly(beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-08-11 US disclosed
CN-102171228-B Method for producing mono-hydroxy-functionalized dialkylphosphinic acids, esters and salts by means of vinyl esters of carboxylic acids and use thereof CLARIANT FINANCE BVI LTD 2015-03-25 CN disclosed
US-20150080582-A1 OPTICAL FILM, RETARDATION PLATE, ELLIPTICA POLARIZING PLATE, LIQUID CRYSTAL DISPLAY DEVICE AND COMPOUND FUJIFILM CORPORATION (JP) 2015-03-19 US disclosed
CN-102164933-B Process for preparing mono-carboxy-functionalized dialkylphosphinic acids, esters and salts by means of alkylene oxides and use thereof CLARIANT INT LTD 2014-12-10 CN disclosed
CN-102171227-B Method for producing mono-carboxy-functionalized dialkylphosphinic acids, esters and salts using a vinyl ester of a carboxylic acid and the use thereof CLARIANT INT LTD 2014-11-12 CN disclosed
US-20100036084-A1 BIODEGRADABLE POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-02-11 US disclosed
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-10-02 US disclosed
US-7427394-B2 Delivering labile agents; buffering effect; transfecting nucleic acids; nontoxic MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-09-23 US disclosed
US-20080145338-A1 Acrylate-terminated poly(beta-amino esters); high throughput assay; biocompatability NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-06-19 US disclosed
US-7361451-B2 Lithographic printing plate precursor and lithographic printing method using the same FUJIFILM CORPORATION (JP) 2008-04-22 US disclosed
US-7350917-B2 Light control plastic lens, coated sheet-like light control element for the lens production, and a production method for light control plastic lens MGC FILSEET CO., LTD. (JP) 2008-04-01 US disclosed
US-20050168690-A1 Light control plastic lens, coated sheet-like light control element for the lens production, and a production method for light control plastic lens FUJI KASEI CO., LTD. (JP) 2005-08-04 US disclosed
EP-1560060-A1 Polarizing or photochromic plastic lens, coated sheet-like light element and method of its production Fuji Kasei Co., Ltd. (JP) 2005-08-03 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 (4 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-20080145338-A1 Acrylate-terminated poly(beta-amino esters); high throughput assay; biocompatability ACP1, ILK, BCAT2 NAAA 797/4885DGKA 2497/4885HTR2C 2267/4885
US-20160022821-A1 BIODEGRADABLE POLY (BETA-AMINO ESTERS) AND USES THEREOF PARN, PARG, NPEPPS NAAA 74/4885DGKA 3262/4885HTR2C 4535/4885
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof PARN, PARG, POLL NAAA 197/4885DGKA 1844/4885HTR2C 3755/4885
US-20150080582-A1 OPTICAL FILM, RETARDATION PLATE, ELLIPTICA POLARIZING PLATE, LIQUID CRYSTAL DISPLAY DEVICE AND COMPOUND PYM1, CCND2, CCNB2 NAAA 4611/4885DGKA 4882/4885HTR2C 551/4885

“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.