Sugi Predict

Sugi Predict / Compounds / SCHEMBL16705774

SCHEMBL16705774

SCHEMBL16705774

CC(C)(C)[Si](OCCCCCCCCC(=O)CCCCCCCCC=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.34
▸ HDAC2 Q92769 5/20 0.34
▸ SMYD2 Q9NRG4 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LTB4R Q15722 2/20 0.32
▸ HDAC3 O15379 2/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ HDAC7 Q8WUI4 2/20 0.32
▸ HDAC10 Q969S8 2/20 0.32
▸ HDAC11 Q96DB2 2/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC9 Q9UKV0 2/20 0.32
▸ HDAC5 Q9UQL6 2/20 0.32
▸ SOAT2 O75908 1/20 0.32
▸ SOAT1 P35610 1/20 0.32

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
SCHEMBL20500283 0.91 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2LTB4R
SCHEMBL5073223 0.91 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2LTB4R
SCHEMBL20500252 0.91 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2LTB4R
SCHEMBL4821411 0.91 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2LTB4R
SCHEMBL4333525 0.91 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2LTB4R
SCHEMBL22664469 0.91 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2LTB4R
SCHEMBL20500262 0.91 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2LTB4R
SCHEMBL4824010 0.91 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2LTB4R
SCHEMBL38662 0.90 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2LTB4R
SCHEMBL31528934 0.89 ABCC4 (0.38) HDAC1HDAC2SMYD2CYP3A4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170135962-A1 NOVEL DIESTER AND TRIESTER BASED LOW MOLECULAR WEIGHT, BIODEGRADEABLE CATIONIC LIPIDS FOR OLIGONUCLEOTIDE DELIVERY SIRNA THERAPEUTICS, INC. (US) 2017-05-18 — — US disclosed
US-9402816-B2 Diester and triester based low molecular weight, biodegradeable cationic lipids for oligonucleotide delivery SIMA THERAPEUTICS, INC. (US) 2016-08-02 — — US disclosed
US-20150133519-A1 NOVEL DIESTER AND TRIESTER BASED LOW MOLECULAR WEIGHT, BIODEGRADEABLE CATIONIC LIPIDS FOR OLIGONUCLEOTIDE DELIVERY BANK OF AMERICA, N.A. 2015-05-14 — — 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-20150133519-A1 NOVEL DIESTER AND TRIESTER BASED LOW MOLECULAR WEIGHT, BIODEGRADEABLE CATIONIC LIPIDS FOR OLIGONUCLEOTIDE DELIVERY CYP46A1, CETP, LIPC HDAC1 457/4885HDAC2 902/4885SMYD2 2967/4885
US-20170135962-A1 NOVEL DIESTER AND TRIESTER BASED LOW MOLECULAR WEIGHT, BIODEGRADEABLE CATIONIC LIPIDS FOR OLIGONUCLEOTIDE DELIVERY CYP46A1, CETP, LIPC HDAC1 457/4885HDAC2 902/4885SMYD2 2967/4885

“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.