SCHEMBL421380

SCHEMBL421380

CCCOC(=O)CCN1CCCC(CC2CCCN(CCC(=O)OCCC)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ THRB P10828 5/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ CHRM4 P08173 2/20 0.38
▸ CHRM5 P08912 2/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ HRH1 P35367 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ ACHE P22303 1/20 0.38

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
SCHEMBL421373 0.86 ALDH1A1 (0.40) ALDH1A1L3MBTL1TSHRSMN1; SMN2THRB
SCHEMBL13988123 0.84 SMN1; SMN2 (0.43) ALDH1A1L3MBTL1TSHRSMN1; SMN2THRB
SCHEMBL420320 0.83 CHRM1 (0.46) ALDH1A1L3MBTL1TSHRSMN1; SMN2MAPT
SCHEMBL13601455 0.81 POLB (0.51) ALDH1A1L3MBTL1SMN1; SMN2LMNAKDM4E
SCHEMBL420355 0.81 HRH1 (0.47) ALDH1A1L3MBTL1TSHRSMN1; SMN2MAPT
SCHEMBL674334 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1TSHRSMN1; SMN2THRB
SCHEMBL419258 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1TSHRSMN1; SMN2THRB
SCHEMBL12881361 0.78 GNAI3 (0.47) ALDH1A1L3MBTL1TSHRSMN1; SMN2THRB
SCHEMBL13988120 0.77 SMN1; SMN2 (0.42) ALDH1A1L3MBTL1SMN1; SMN2THRBMAPT
SCHEMBL13988121 0.76 ACHE (0.43) ALDH1A1TSHRSMN1; SMN2THRBMAPT

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 11 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-RE43612-E1 Biodegradable poly(β-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-08-28 — — 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-7427394-B2 Delivering labile agents; buffering effect; transfecting nucleic acids; nontoxic MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-09-23 — — 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 2245/4885L3MBTL1 480/4885TSHR 4424/4885
US-20110059172-A1 THERAPEUTIC COMPOSITIONS PHOSPHO1, ACP1, TUBB3 ALDH1A1 1769/4885L3MBTL1 841/4885TSHR 3621/4885

“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.

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