SCHEMBL419297

SCHEMBL419297

CCCC(=O)OCC1CCC(COC(=O)CCN(C)CCCN2CCOCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HTR4 Q13639 4/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HTR2B P41595 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL12009417 0.89 LMNA (0.39) ALDH1A1HTR4L3MBTL1ADRA2CHTR1D
SCHEMBL10030579 0.87 ALDH1A1 (0.46) ALDH1A1NPSR1KMT2AMEN1RAB9A
SCHEMBL12225835 0.81 KDM5A (0.46) KMT2AMEN1LMNA
SCHEMBL421685 0.80 DNM1 (0.41) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL421389 0.79 KDM5A (0.38) ALDH1A1KMT2AMEN1LMNA
SCHEMBL19942145 0.77 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1RAB9ALMNA
SCHEMBL10030575 0.77 TLR2 (0.40) ALDH1A1HPGDNPSR1KMT2AMEN1
SCHEMBL13375694 0.77 ALDH1A1 (0.35) ALDH1A1HTR4CYP3A4CYP2C9HPGD
SCHEMBL12225833 0.74 LMNA (0.38) ALDH1A1KMT2AMEN1LMNA
SCHEMBL420322 0.73 LMNA (0.53) ALDH1A1LMNAPOLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20120065358-A1 BIODEGRADABLE POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-15 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

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-20160022821-A1 BIODEGRADABLE POLY (BETA-AMINO ESTERS) AND USES THEREOF PARN, PARG, NPEPPS ALDH1A1 2245/4885HTR4 3700/4885CYP3A4 4082/4885
US-20110059172-A1 THERAPEUTIC COMPOSITIONS PHOSPHO1, ACP1, TUBB3 ALDH1A1 1769/4885HTR4 3956/4885CYP3A4 4745/4885

“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.