SCHEMBL759442

SCHEMBL759442

CSSC(C)c1ccc(C(C)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 6/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HSD17B1 P14061 1/20 0.39
MAPK1 P28482 3/20 0.39
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 3/20 0.37
OPRD1 P41143 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL12267898 0.90 HPGD (0.50) HPGDLMNAL3MBTL1MAPTRAB9A
SCHEMBL734544 0.84 HPGD (0.48) HPGDLMNAL3MBTL1MAPTRAB9A
SCHEMBL14015459 0.80 PLK1 (0.53) HPGDSMN1; SMN2
SCHEMBL16501829 0.79 PLK1 (0.47) HPGDLMNAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL182327 0.74 CYP2C9 (0.55) HPGDLMNAL3MBTL1MAPTRAB9A
SCHEMBL9683939 0.74 MAPT (0.50) HPGDLMNAL3MBTL1MAPTRAB9A
Hydrochloric Acid SCHEMBL5197216 0.73 CYP2C9 (0.53) HPGDLMNAL3MBTL1MAPTRAB9A
SCHEMBL17319344 0.73 MAPT (0.48) HPGDLMNAL3MBTL1MAPTRAB9A
SCHEMBL1262317 0.73 MAPT (0.48) HPGDLMNAL3MBTL1MAPTRAB9A
SCHEMBL16659380 0.72 MAPT (0.52) HPGDLMNAL3MBTL1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189441-A1 DUAL MOLECULAR DELIVERY OF OLIGONUCLEOTIDES AND PEPTIDE CONTAINING CONJUGATES MERCK SHARP & DOHME CORP. (US) 2017-07-06 US disclosed
US-20170081425-A1 PEPTIDE CONTAINING CONJUGATES FOR DUAL MOLECULAR DELIVERY OF OLIGONUCLEOTIDES MERCK SHARP & DOHME CORP. (US) 2017-03-23 US disclosed
US-9452221-B2 Poly(acrylate) polymers for in vivo nucleic acid delivery Arrowhead Pharmaceuticals, Inc. (US) 2016-09-27 US disclosed
US-9089611-B2 Poly(vinyl ester) polymers for in vivo nucleic acid delivery Arrowhead Madison Inc. (US) 2015-07-28 US disclosed
US-20150110732-A1 Poly(vinyl ester) Polymers for In Vivo Nucleic Acid Delivery Arrowhead Madison Inc. 2015-04-23 US disclosed
US-20150104408-A1 Poly(acrylate) Polymers for In Vivo Nucleic Acid Delivery Arrowhead Madison Inc. (US) 2015-04-16 US disclosed
US-8658211-B2 Polyconjugates for in vivo delivery of polynucleotides Arrowhead Madison Inc. (US) 2014-02-25 US disclosed
US-20120230938-A1 Polyconjugates for In Vivo Delivery of Polynucleotides Arrowhead Madison Inc. (US) 2012-09-13 US disclosed
US-8138383-B2 For cellular delivery; heterogeneity polymer containing cationic groups and hydrophobic groups Arrowhead Madison Inc. (US) 2012-03-20 US disclosed
US-8008355-B2 Delivering nucleic acids to cells; copolymer containing amine monomer and hydrophobic segments ROCHE MADISON INC. (US) 2011-08-30 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-20120230938-A1 Polyconjugates for In Vivo Delivery of Polynucleotides PHAX, NCL, PCBP1 HPGD 4638/4885LMNA 281/4885L3MBTL1 773/4885
US-20150110732-A1 Poly(vinyl ester) Polymers for In Vivo Nucleic Acid Delivery PHAX, PARG, PABPC4 HPGD 4175/4885LMNA 342/4885L3MBTL1 174/4885
US-20150104408-A1 Poly(acrylate) Polymers for In Vivo Nucleic Acid Delivery PHAX, PARN, PARG HPGD 4559/4885LMNA 296/4885L3MBTL1 243/4885
US-20170081425-A1 PEPTIDE CONTAINING CONJUGATES FOR DUAL MOLECULAR DELIVERY OF OLIGONUCLEOTIDES AGBL2, LNPEP, DCLRE1B HPGD 4358/4885LMNA 1253/4885L3MBTL1 14/4885
US-20170189441-A1 DUAL MOLECULAR DELIVERY OF OLIGONUCLEOTIDES AND PEPTIDE CONTAINING CONJUGATES DCLRE1A, DCLRE1B, LNPEP HPGD 4623/4885LMNA 872/4885L3MBTL1 8/4885

“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.