SCHEMBL19002819

SCHEMBL19002819

CC(C)CCC(=O)NC1CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
TSHR P16473 2/20 0.54
HTT P42858 2/20 0.53
DHODH Q02127 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KCNA5 P22460 1/20 0.52
PARP1 P09874 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PLA2G1B P04054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL19114763 1.00 ALDH1A1 (0.54) ALDH1A1TSHRHTTDHODHL3MBTL1
SCHEMBL5969797 0.87 ALDH1A1 (0.64) ALDH1A1TSHRHTTDHODHL3MBTL1
SCHEMBL21766236 0.87 ALDH1A1 (0.64) ALDH1A1TSHRHTTDHODHL3MBTL1
SCHEMBL7154380 0.87 ALDH1A1 (0.64) ALDH1A1TSHRHTTDHODHL3MBTL1
SCHEMBL15912315 0.86 ALDH1A1 (0.57) ALDH1A1TSHRHTTPLA2G1BATG4B
SCHEMBL2464640 0.85 ALDH1A1 (0.64) ALDH1A1TSHRHTTDHODHL3MBTL1
SCHEMBL19115277 0.85 ALDH1A1 (0.64) ALDH1A1TSHRHTTDHODHL3MBTL1
SCHEMBL5970025 0.84 ALDH1A1 (0.61) ALDH1A1TSHRDHODHL3MBTL1PARP1
SCHEMBL5969969 0.84 ALDH1A1 (0.61) ALDH1A1TSHRDHODHL3MBTL1PARP1
SCHEMBL5969898 0.84 ALDH1A1 (0.61) ALDH1A1TSHRDHODHL3MBTL1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221191-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC 2019-03-05 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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 (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-10221191-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885TSHR 4461/4885HTT 4394/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885TSHR 4461/4885HTT 4394/4885

“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.