SCHEMBL19002243

SCHEMBL19002243

CCC(=O)N(CCO)CCOCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ALDH2 P05091 1/20 0.31
CYP4F2 P78329 1/20 0.30

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
SCHEMBL30497478 0.96 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL15071692 0.94 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL19002633 0.87 POLB (0.37) ALDH1A1POLBHSD17B10KDM4EHPGD
SCHEMBL3628031 0.83 POLB (0.41) ALDH1A1TSHRMAPK1POLBMAPT
SCHEMBL3197871 0.82 NR1I2 (0.41) ALDH1A1TSHRMAPK1POLBHSD17B10
SCHEMBL3222777 0.81 ALDH1A1 (0.43) ALDH1A1TSHRTHRBHSD17B10HPGD
SCHEMBL19002610 0.80 TSHR (0.42) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL11838505 0.79 POLB (0.44) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL24668885 0.78 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL10581659 0.78 TSHR (0.50) ALDH1A1TSHRMAPK1MEN1KMT2A

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-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 (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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885TSHR 4461/4885MAPK1 4/4885

“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.