SCHEMBL21671263

SCHEMBL21671263

CC(C)C(=O)Nc1ccc(COC(=O)C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ROCK2 O75116 1/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
MLYCD O95822 1/20 0.47
LTA4H P09960 1/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL25002073 0.89 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTRXFP1
SCHEMBL19042827 0.89 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTRXFP1
SCHEMBL19618196 0.87 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTRXFP1
SCHEMBL19491612 0.87 KMT2A (0.58) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL19915499 0.86 ROCK2 (0.45) MEN1KMT2AALDH1A1MAPTRXFP1
SCHEMBL18268264 0.86 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTRXFP1
SCHEMBL21659099 0.85 KMT2A (0.43) MEN1KMT2AALDH1A1MAPTROCK2
SCHEMBL16252543 0.85 KMT2A (0.57) MEN1KMT2AALDH1A1MAPTRXFP1
SCHEMBL22394067 0.84 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTRXFP1
SCHEMBL21671140 0.84 AAK1 (0.56) ROCK2LTA4H

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-20200039986-A1 2H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AND METHODS AND USES THEREFOR BRISTOL-MYERS SQUIBB COMPANY 2020-02-06 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-20200039986-A1 2H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AND METHODS AND USES THEREFOR TLR7, TLR9, TLR1 MEN1 4571/4885KMT2A 1848/4885ALDH1A1 2542/4885

“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.