SCHEMBL18929368

SCHEMBL18929368

CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.38
▸ TLR1 Q15399 2/20 0.38
▸ BCHE P06276 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ DDB1 Q16531 2/20 0.36
▸ CRBN Q96SW2 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ PLK1 P53350 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ADORA1 P30542 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
SCHEMBL12317123 1.00 TLR2 (0.38) TLR2TLR1BCHECNR2TDP1
SCHEMBL31476207 1.00 TLR2 (0.38) TLR2TLR1BCHECNR2TDP1
SCHEMBL14180170 1.00 TLR2 (0.38) TLR2TLR1BCHECNR2TDP1
SCHEMBL30895423 1.00 TLR2 (0.38) TLR2TLR1BCHECNR2TDP1
SCHEMBL22443641 1.00 TLR2 (0.38) TLR2TLR1BCHECNR2TDP1
SCHEMBL25129444 1.00 TLR2 (0.38) TLR2TLR1BCHECNR2TDP1
SCHEMBL13228857 0.99 TDP1 (0.38) TLR2TLR1BCHECNR2TDP1
SCHEMBL25940770 0.92 TDP1 (0.42) TDP1CA12CA1CA2CA9
SCHEMBL17589281 0.91 CA12 (0.38) TLR2TLR1BCHECNR2TDP1
SCHEMBL22687753 0.90 BCHE (0.38) BCHECNR2TDP1DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170157265-A1 ISOQUINOLIDINOBENZODIAZEPINES CELLERANT THERAPEUTICS, INC. 2017-06-08 — — 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-20170157265-A1 ISOQUINOLIDINOBENZODIAZEPINES BCR, IGLV6-57, GABRA4 TLR2 2855/4885TLR1 4226/4885BCHE 698/4885

“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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