SCHEMBL18151122

SCHEMBL18151122

COC(=O)CC(CC(=O)OC)c1ccccc1OC

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.66
POLB P06746 2/20 0.66
NPSR1 Q6W5P4 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
LPAR1 Q92633 1/20 0.47
CTSD P07339 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TNF P01375 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
NFE2L2 Q16236 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 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
SCHEMBL8770909 0.84 HTT (0.51) HTTPOLBNPSR1L3MBTL1LPAR1
SCHEMBL17754986 0.84 HTT (0.51) HTTPOLBNPSR1L3MBTL1LPAR1
SCHEMBL30781902 0.84 POLB (0.73) HTTPOLBNPSR1L3MBTL1MEN1
SCHEMBL18150761 0.84 POLB (0.73) HTTPOLBNPSR1L3MBTL1MEN1
SCHEMBL18151385 0.83 POLB (0.63) HTTPOLBNPSR1L3MBTL1HPGD
SCHEMBL381854 0.83 HTT (0.50) HTTPOLBNPSR1L3MBTL1LPAR1
SCHEMBL11077027 0.82 POLB (0.66) HTTPOLBNPSR1L3MBTL1LPAR1
SCHEMBL18151306 0.80 POLB (0.58) HTTPOLBNPSR1L3MBTL1ALDH1A1
SCHEMBL16673026 0.79 POLB (0.50) HTTPOLBNPSR1L3MBTL1CTSD
SCHEMBL29110960 0.77 POLB (0.59) HTTPOLBNPSR1L3MBTL1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
EP-3288939-A1 TRICYCLIC MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-07 EP disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO 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 (3 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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 HTT 2609/4885POLB 3462/4885NPSR1 547/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 HTT 2609/4885POLB 3462/4885NPSR1 547/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 HTT 2609/4885POLB 3462/4885NPSR1 547/4885

“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.