SCHEMBL19002634

SCHEMBL19002634

CCCC(=O)N1CCC(CCCOC)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.52
GNAO1 P09471 3/20 0.52
GNAI1 P63096 3/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
ITGB3 P05106 4/20 0.46
ITGA2B P08514 4/20 0.46
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.43
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
HSD11B1 P28845 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
SCHEMBL16072732 0.91 GNAI3 (0.51) GNAI3GNAO1GNAI1ALDH1A1KDM4E
SCHEMBL13498645 0.88 GNAI3 (0.56) GNAI3GNAO1GNAI1ALDH1A1KDM4E
SCHEMBL19001329 0.88 ALDH1A1 (0.48) GNAI3GNAO1GNAI1ALDH1A1KDM4E
SCHEMBL16072731 0.85 GNAI3 (0.59) GNAI3GNAO1GNAI1ALDH1A1KDM4E
SCHEMBL6043709 0.84 ALDH1A1 (0.48) GNAI3GNAO1GNAI1ALDH1A1KDM4E
SCHEMBL13498641 0.84 GNAI3 (0.51) GNAI3GNAO1GNAI1ALDH1A1KDM4E
SCHEMBL6043717 0.84 ALDH1A1 (0.48) GNAI3GNAO1GNAI1ALDH1A1KDM4E
SCHEMBL16072734 0.82 GNAI3 (0.68) GNAI3GNAO1GNAI1ALDH1A1ITGB3
SCHEMBL16072733 0.82 GNAI3 (0.68) GNAI3GNAO1GNAI1ALDH1A1ITGB3
SCHEMBL10274497 0.82 GNAI3 (0.58) GNAI3GNAO1GNAI1ALDH1A1ITGB3

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 GNAI3 861/4885GNAO1 1452/4885GNAI1 680/4885

“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.