SCHEMBL18151385

SCHEMBL18151385

COc1ccccc1C(CC(=O)O)CC(=O)OC(=O)CC(CC(=O)O)c1ccccc1OC

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.63
HTT P42858 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.44
CTSA P10619 3/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.42
PTGFR P43088 3/20 0.41
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40

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
SCHEMBL18150761 0.92 POLB (0.73) POLBHTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL30781902 0.92 POLB (0.73) POLBHTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL18151306 0.87 POLB (0.58) POLBHTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL17755320 0.84 POLB (0.62) POLBHTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL14576778 0.84 POLB (0.62) POLBHTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL18151122 0.83 HTT (0.66) POLBHTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL657343 0.83 CTSA (0.42) POLBHTTNPSR1L3MBTL1CTSA
SCHEMBL21632146 0.83 POLB (0.60) POLBHTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL657210 0.79 GABBR2 (0.41) POLBHTTNPSR1L3MBTL1GABBR2
SCHEMBL8045583 0.78 NPSR1 (0.55) POLBHTTNPSR1L3MBTL1SMN1; SMN2

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 6 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
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-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

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 POLB 3462/4885HTT 2609/4885NPSR1 547/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 POLB 3462/4885HTT 2609/4885NPSR1 547/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 POLB 3462/4885HTT 2609/4885NPSR1 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.