SCHEMBL20788116

SCHEMBL20788116

CCCCCCCCCCCC(=O)NC1C(OC(C)=O)OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.61
▸ TLR4 O00206 10/20 0.57
▸ LY96 Q9Y6Y9 6/20 0.53
▸ KMT2A Q03164 1/20 0.51
▸ POLB P06746 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TGM2 P21980 1/20 0.47
▸ CYP2D6 P10635 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NR3C1 P04150 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ DRD4 P21917 1/20 0.43

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
SCHEMBL15333976 1.00 LMNA (0.61) LMNATLR4LY96KMT2APOLB
SCHEMBL30718114 0.95 LMNA (0.63) LMNATLR4LY96KMT2APOLB
SCHEMBL31540817 0.92 TLR4 (0.59) LMNATLR4LY96KMT2APOLB
SCHEMBL25957762 0.91 LMNA (0.65) LMNATLR4KMT2APOLBALDH1A1
SCHEMBL30032874 0.91 LMNA (0.65) LMNATLR4KMT2APOLBALDH1A1
SCHEMBL21138671 0.91 LMNA (0.65) LMNATLR4KMT2APOLBALDH1A1
SCHEMBL21058368 0.91 LMNA (0.65) LMNATLR4KMT2APOLBALDH1A1
SCHEMBL9519945 0.91 LMNA (0.51) LMNATLR4LY96KMT2APOLB
SCHEMBL10961698 0.88 LMNA (0.48) LMNATLR4LY96KMT2APOLB
SCHEMBL10961699 0.88 LMNA (0.48) LMNATLR4LY96KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019055597-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TSC National Tuberous Sclerosis Association, Inc. (US) 2019-03-21 — — WO disclosed
US-20190077874-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TUBEROUS SCLEROSIS National Tuberous Sclerosis Association, Inc. 2019-03-14 — — 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 (1 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-20190077874-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TUBEROUS SCLEROSIS TLR4, TLR3, TLR2 LMNA 1227/4885TLR4 1/4885LY96 76/4885

“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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