SCHEMBL420094

SCHEMBL420094

CCCC(=O)OCCCCCCOC(=O)CCC

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.64
DGKA P23743 1/20 0.64
HTR2C P28335 1/20 0.60
RAD52 P43351 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
ALDH1A1 P00352 1/20 0.52
FAAH O00519 1/20 0.52
DNM1 Q05193 1/20 0.52
EPHX1 P07099 1/20 0.48
ACHE P22303 4/20 0.47
TSHR P16473 2/20 0.47
PAM P19021 2/20 0.47

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 1.00 NAAA (0.64) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL421653 0.97 NAAA (0.60) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL1091514 0.95 NAAA (0.72) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL128168 0.95 NAAA (0.72) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL334051 0.95 NAAA (0.72) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL10149466 0.95 NAAA (0.72) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL333278 0.95 NAAA (0.72) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL1171560 0.95 NAAA (0.72) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL2891994 0.95 NAAA (0.72) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL21044646 0.95 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2917276-B1 STABILIZED HIGH-DENSITY POLYETHYLENE COMPOSITION WITH IMPROVED RESISTANCE TO DETERIORATION AND STABILZER SYSTEM EQUISTAR CHEM LP (US) 2018-07-18 EP disclosed
US-9700627-B2 Biodegradable poly (beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-07-11 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
US-8808681-B2 Crosslinked, degradable polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-08-19 US disclosed
WO-2014074596-A1 STABILIZED HIGH-DENSITY POLYETHYLENE COMPOSITION WITH IMPROVED RESISTANCE TO DETERIORATION AND STABILZER SYSTEM EQUISTAR CHEMICALS, LP (US) 2014-05-15 WO disclosed
US-20140127438-A1 STABILIZED HIGH-DENSITY POLYETHYLENE COMPOSITION WITH IMPROVED RESISTANCE TO DETERIORATION AND STABILIZER SYSTEM EQUISTAR CHEMICALS, L.P. 2014-05-08 US disclosed
US-8562966-B2 End-modified poly(beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-22 US disclosed
US-8557231-B2 Biodegradable poly(beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-15 US disclosed
US-8287849-B2 Biodegradable poly(beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-10-16 US disclosed
US-RE43612-E1 Biodegradable poly(β-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-06-14 US disclosed
US-20120065358-A1 BIODEGRADABLE POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-15 US disclosed
US-7943179-B2 Drug delivery particle; useful in genetic vaccination; eg poly(beta-amino esters) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-05-17 US disclosed
US-20110059172-A1 THERAPEUTIC COMPOSITIONS TZIANABOS ARTHUR 2011-03-10 US 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

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-20080145338-A1 Acrylate-terminated poly(beta-amino esters); high throughput assay; biocompatability ACP1, ILK, BCAT2 NAAA 797/4885DGKA 2497/4885HTR2C 2267/4885
US-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF PARN, PARG, POLL NAAA 197/4885DGKA 1844/4885HTR2C 3755/4885
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-20110059172-A1 THERAPEUTIC COMPOSITIONS PHOSPHO1, ACP1, TUBB3 NAAA 1994/4885DGKA 3633/4885HTR2C 4063/4885

“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.