SCHEMBL16705754

SCHEMBL16705754

CCCCCCCCCC(CCCCCCCCC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
FAAH O00519 2/20 0.36
TRPV1 Q8NER1 2/20 0.36
PRSS1 P07477 3/20 0.35
CTSG P08311 2/20 0.35
CTRB1 P17538 2/20 0.35
CMA1 P23946 2/20 0.35
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ALDH1A1 P00352 1/20 0.33
DAGLA Q9Y4D2 1/20 0.32
CTSK P43235 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL10081517 0.95 CYP3A4 (0.31) CYP3A4
SCHEMBL14935616 0.91 FAAH (0.40) TSHRFAAHTRPV1CYP1A2CYP3A4
SCHEMBL2637017 0.91 FAAH (0.40) TSHRFAAHTRPV1CYP1A2CYP3A4
SCHEMBL14935617 0.91 FAAH (0.40) TSHRFAAHTRPV1CYP1A2CYP3A4
SCHEMBL2637018 0.91 FAAH (0.40) TSHRFAAHTRPV1CYP1A2CYP3A4
SCHEMBL10081520 0.90 SOAT2 (0.38) TSHRFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL10081526 0.90 SOAT2 (0.38) TSHRFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL30132385 0.90 SOAT2 (0.38) TSHRFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL16705753 0.90 SOAT2 (0.38) TSHRFAAHCYP1A2CYP3A4CYP2D6
SCHEMBL16830075 0.89 PRSS1 (0.36) TSHRPRSS1CTSGCTRB1CMA1

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 TSHR 1904/4885FAAH 1196/4885TRPV1 3742/4885
US-20170135962-A1 NOVEL DIESTER AND TRIESTER BASED LOW MOLECULAR WEIGHT, BIODEGRADEABLE CATIONIC LIPIDS FOR OLIGONUCLEOTIDE DELIVERY CYP46A1, CETP, LIPC TSHR 1904/4885FAAH 1196/4885TRPV1 3742/4885

“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.