SCHEMBL21262004

SCHEMBL21262004

COc1cccc(C(=O)NC(C)(C)CC(C)(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.52
TAS1R1 Q7RTX1 4/20 0.52
POLB P06746 1/20 0.51
KLKB1 P03952 1/20 0.51
TAS1R2 Q8TE23 1/20 0.50
CNR2 P34972 1/20 0.49
KLK1 P06870 1/20 0.48
KLK5 Q9Y337 1/20 0.48
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTSD P07339 1/20 0.45
EZH2 Q15910 1/20 0.44
ANO1 Q5XXA6 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL21262572 0.86 KLK1 (0.49) TAS1R3TAS1R1POLBKLK1KLK5
SCHEMBL22578946 0.82 MAPT (0.55) POLBKMT2ANPSR1L3MBTL1KDM4E
SCHEMBL22578845 0.81 POLB (0.46) POLBCNR2KMT2ANPSR1L3MBTL1
SCHEMBL21246831 0.79 POLB (0.54) TAS1R3TAS1R1POLBKLKB1TAS1R2
SCHEMBL22569446 0.78 HPGD (0.46) POLBKMT2ANPSR1L3MBTL1ALDH1A1
SCHEMBL4225408 0.78 TAS1R3 (0.63) TAS1R3TAS1R1POLBKLKB1TAS1R2
SCHEMBL5583778 0.77 POLB (0.44) POLBANO1ALDH1A1LMNA
SCHEMBL17544377 0.77 TAS1R3 (0.61) TAS1R3TAS1R1POLBKLKB1TAS1R2
SCHEMBL4224402 0.77 CTSD (0.74) TAS1R3TAS1R1POLBKLKB1TAS1R2
SCHEMBL1436277 0.77 TAS1R3 (0.61) TAS1R3TAS1R1KLKB1TAS1R2CNR2

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-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-12-06 US disclosed
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-10-22 US disclosed
WO-2019153080-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-08-15 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 (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-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction BCL6, BCL6B, BCL3 TAS1R3 4746/4885TAS1R1 4751/4885POLB 3872/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 TAS1R3 4734/4885TAS1R1 4678/4885POLB 3681/4885

“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.