SCHEMBL13559239

SCHEMBL13559239

C=C(C)C(=O)OC1CC2CC1C1C(=O)OC(C)(C)CC(C)(C)OC(=O)C21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPX4 P36969 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL16737003 0.84 GPX4 (0.34) GPX4KDM4ENPC1POLBMAPT
SCHEMBL18022224 0.81 GPX4 (0.32) GPX4KDM4ENPC1POLBMAPT
SCHEMBL6831501 0.77 ALDH1A1 (0.36) GPX4KDM4ENPC1POLBMAPT
SCHEMBL6834284 0.76 ALDH1A1 (0.35) GPX4KDM4ENPC1POLBMAPT
SCHEMBL18400928 0.76 GPX4 (0.34) GPX4KDM4ENPC1POLBMAPT
SCHEMBL75010 0.76 GPX4 (0.34) GPX4KDM4ENPC1POLBMAPT
SCHEMBL304319 0.74 GPX4 (0.33) GPX4KDM4ENPC1POLBMAPT
SCHEMBL3803250 0.74 GPX4 (0.33) GPX4KDM4ENPC1POLBMAPT
SCHEMBL3809880 0.73 GPX4 (0.33) GPX4KDM4ENPC1POLBMAPT
SCHEMBL13559236 0.73

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-20120276482-A1 RADIATION SENSITIVE RESIN COMPOSITION, METHOD FOR FORMING A PATTERN, POLYMER AND COMPOUND JSR CORPORATION (JP) 2012-11-01 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-20120276482-A1 RADIATION SENSITIVE RESIN COMPOSITION, METHOD FOR FORMING A PATTERN, POLYMER AND COMPOUND RAD51, MRE11, RER1 GPX4 1986/4885KDM4E 1853/4885NPC1 4347/4885

“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.