SCHEMBL3424944

SCHEMBL3424944

O=C(O)CCCCCNOCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
ALDH1A1 P00352 2/20 0.49
TBXA2R P21731 1/20 0.49
HDAC3 O15379 5/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC2 Q92769 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC4 P56524 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
MAPK1 P28482 2/20 0.49
SLC6A3 Q01959 2/20 0.49
ADRA1A P35348 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL9504635 0.93 HTT (0.62) HTTMAPTRXFP1ALDH1A1HDAC3
SCHEMBL9543244 0.86 HTT (0.53) HTTALDH1A1HDAC3HDAC1HDAC2
SCHEMBL437919 0.86 MAOA (0.48) TSHRNPC1RAB9A
SCHEMBL1749601 0.83 ALDH1A1 (0.55) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL1377409 0.81 HDAC3 (0.68) HTTMAPTRXFP1HDAC3HDAC1
SCHEMBL1374654 0.81 HDAC3 (0.68) HTTMAPTRXFP1HDAC3HDAC1
SCHEMBL17109730 0.80 HTT (0.67) HTTMAPTSMN1; SMN2LMNA
SCHEMBL7076895 0.80 HTT (0.42) HTTALDH1A1LMNATSHRNPC1
SCHEMBL6511951 0.79 TGM2 (0.45) HTTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL5278052 0.79 ATM (0.57) HTTMAPTRXFP1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220403377-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. 2022-12-22 US disclosed
US-11312957-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-10676740-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2020-06-09 US disclosed
US-20190345498-A1 MODIFIED iRNA AGENTS BANK OF AMERICA, N.A. 2019-11-14 US disclosed
US-20180258427-A1 MODIFIED iRNA AGENTS BANK OF AMERICA, N.A. 2018-09-13 US disclosed
US-20160264968-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. 2016-09-15 US disclosed
US-9394540-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
US-20140316124-A1 MODIDIFED iRNA AGENTS BANK OF AMERICA, N.A. 2014-10-23 US disclosed
US-8796436-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20130211063-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. (US) 2013-08-15 US disclosed
US-8507661-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8470988-B2 Single-stranded and double-stranded oligonucleotides comprising a 2-arylpropyl moiety ALNYLAM PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
US-20100292455-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS (US) 2010-11-18 US disclosed
US-20100197899-A1 SINGLE-STRANDED AND DOUBLE-STRANDED OLIGONUCLEOTIDES COMPRISING A 2-ARYLPROPYL MOIETY ALNYLAM PHARMACEUTICALS, INC. (US) 2010-08-05 US disclosed
US-7745608-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
US-7626014-B2 Single-stranded and double-stranded oligonucleotides comprising a 2-arylpropyl moiety ALNYLAM PHARMACEUTICALS (US) 2009-12-01 US disclosed
EP-1768998-A2 SINGLE-STRANDED AND DOUBLE-STRANDED OLIGONUCLEOTIDES COMPRISING A 2-ARYLPROPYL MOIETY Alnylam Pharmaceuticals Inc. (US) 2007-04-04 EP disclosed
WO-2006078278-A2 SINGLE-STRANDED AND DOUBLE-STRANDED OLIGONUCLEOTIDES COMPRISING A 2-ARYLPROPYL MOIETY ALNYLAM PHARMACEUTICALS, INC. (US) 2006-07-27 WO disclosed
US-20060008822-A1 Single-stranded and double-stranded oligonucleotides comprising a 2-arylpropyl moiety ALNYLAM PHARMACEUTICALS, INC. (US) 2006-01-12 US disclosed
US-20050107325-A1 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue, for drug delivery to entrance into tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; antitumor biodrugs ALNYLAM PHARMACEUTICALS, INC. 2005-05-19 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 (9 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-20060008822-A1 Single-stranded and double-stranded oligonucleotides comprising a 2-arylpropyl moiety P2RY2, DERA, P2RY6 HTT 1842/4885MAPT 4661/4885RXFP1 3631/4885
US-20220403377-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 HTT 1329/4885MAPT 2361/4885RXFP1 1830/4885
US-20190345498-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 HTT 1329/4885MAPT 2361/4885RXFP1 1830/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 HTT 1329/4885MAPT 2361/4885RXFP1 1830/4885
US-20100197899-A1 SINGLE-STRANDED AND DOUBLE-STRANDED OLIGONUCLEOTIDES COMPRISING A 2-ARYLPROPYL MOIETY SAAL1, OPRL1, ANXA2 HTT 2249/4885MAPT 4830/4885RXFP1 3465/4885
US-20180258427-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 HTT 1329/4885MAPT 2361/4885RXFP1 1830/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 HTT 1329/4885MAPT 2361/4885RXFP1 1830/4885
US-20050107325-A1 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue, for drug delivery to entrance into tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; antitumor biodrugs LDLR, SLC29A1, SLC29A2 HTT 1913/4885MAPT 3474/4885RXFP1 1434/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 HTT 1329/4885MAPT 2361/4885RXFP1 1830/4885

“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.