SCHEMBL21032973

SCHEMBL21032973

COc1ccc(CC(C)(C)Cc2ccccc2)cc1CC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
NR3C1 P04150 1/20 0.40
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
CYP2D6 P10635 1/20 0.37
TACR1 P25103 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
KMT2A Q03164 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
SCHEMBL20782032 0.80 RIPK1 (0.47) RIPK1ABCB1MAPTKMT2A
SCHEMBL26066256 0.79 RIPK1 (0.44) RIPK1ABCB1ABCG2MAPTKDM4E
SCHEMBL17236366 0.78 NPC1 (0.41) HTTMAPT
SCHEMBL6265943 0.76 KDM4E (0.52) RIPK1HTTLMNAMAPTKDM4E
SCHEMBL19326030 0.76 RIPK1 (0.46) RIPK1NR3C1MAPTKMT2A
SCHEMBL20223008 0.76 GAA (0.60)
SCHEMBL14999412 0.76 CA2 (0.41)
SCHEMBL20222976 0.74 PPARA (0.56)
SCHEMBL19788229 0.73 LTA4H (0.46) SMN1; SMN2HTTLMNAMAPTKDM4E
SCHEMBL12775836 0.73 ALDH1A1 (0.53) CYP2D6KMT2A

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-11053236-B2 Substituted isoselenazolone anti-infective, anti-inflammatory, anti-cancer, cytoprotective, neuroprotective, and anti-oxidant agents THE UNIVERSITY OF TOLEDO (US) 2021-07-06 US disclosed
US-20190161482-A1 SUBSTITUTED ISOSELENAZOLONE ANTI-INFECTIVE, ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS THE UNIVERSITY OF TOLEDO (US) 2019-05-30 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-11053236-B2 Substituted isoselenazolone anti-infective, anti-inflammatory, anti-cancer, cytoprotective, neuroprotective, and anti-oxidant agents AIFM1, HSPE1, COX15 RIPK1 1511/4885NR3C1 1452/4885ABCB1 916/4885
US-20190161482-A1 SUBSTITUTED ISOSELENAZOLONE ANTI-INFECTIVE, ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS AIFM1, HSPE1, COX15 RIPK1 1511/4885NR3C1 1452/4885ABCB1 916/4885

“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.