SCHEMBL21169303

SCHEMBL21169303

CCC(C)(CC)CC(=O)N1CCC(CCCOC)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 2/20 0.40
GNAI3 P08754 2/20 0.40
GNAO1 P09471 2/20 0.40
GNAI1 P63096 2/20 0.40
NPC1 O15118 1/20 0.40
FAAH O00519 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL18997635 0.87 FAAH (0.50) ALDH1A1KDM4ERAB9AGNAI3GNAO1
SCHEMBL19001329 0.84 ALDH1A1 (0.48) ALDH1A1KDM4ERAB9AGNAI3GNAO1
SCHEMBL19002634 0.81 GNAI3 (0.52) ALDH1A1KDM4EGNAI3GNAO1GNAI1
SCHEMBL6043709 0.81 ALDH1A1 (0.48) ALDH1A1KDM4ERAB9AGNAI3GNAO1
SCHEMBL6043717 0.81 ALDH1A1 (0.48) ALDH1A1KDM4ERAB9AGNAI3GNAO1
SCHEMBL20665175 0.80 FKBP1A (0.42) ALDH1A1KDM4ERAB9AGNAI3GNAO1
SCHEMBL19001332 0.78 KDM4E (0.43) ALDH1A1KDM4ERAB9ANPC1DRD2
SCHEMBL18997634 0.78 FAAH (0.46) ALDH1A1KDM4EGNAI3GNAO1GNAI1
SCHEMBL19049361 0.77 KDM4E (0.45) ALDH1A1KDM4ERAB9ANPC1DRD2
SCHEMBL19049588 0.76 ALDH1A1 (0.44) ALDH1A1KDM4ERAB9AGNAI3GNAO1

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-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 ALDH1A1 2861/4885KDM4E 3018/4885RAB9A 2574/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885KDM4E 3392/4885RAB9A 2641/4885

“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.