SCHEMBL19002587

SCHEMBL19002587

CCCC(=O)N(C)Cc1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 13/20 0.56
HSD17B2 P37059 13/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 1/20 0.51
AOC3 Q16853 1/20 0.48
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 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
SCHEMBL1690816 0.82 NPC1 (0.82) NPC1RAB9AKMT2A
SCHEMBL19002583 0.80 RAB9A (0.58) NPC1RAB9AKMT2A
SCHEMBL19049387 0.80 HSD17B2 (0.61) HSD17B1HSD17B2
SCHEMBL19002595 0.80 HSD17B2 (0.55) HSD17B1HSD17B2NPC1RAB9AAOC3
SCHEMBL19002486 0.80 MEP1A (0.51) HSD17B1HSD17B2NPC1RAB9AKMT2A
SCHEMBL17882188 0.79 RIPK1 (0.72) HSD17B1HSD17B2
SCHEMBL13639156 0.76 PPARA (0.57) NPC1RAB9AKMT2A
SCHEMBL9416596 0.76 HSD17B2 (0.83) HSD17B1HSD17B2KMT2A
SCHEMBL14753662 0.74 RIPK1 (0.66) NPC1RAB9AKMT2A
SCHEMBL31126662 0.74 ALDH1A1 (0.54) HSD17B1HSD17B2DRD2DRD1DRD4

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 HSD17B1 1693/4885HSD17B2 1736/4885NPC1 2024/4885

“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.