SCHEMBL448524

SCHEMBL448524

C=C(C)C(=O)OC1CC(C(=O)OC)C2CC(=O)OC1C2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPX4 P36969 1/20 0.34
ALDH1A1 P00352 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL443886 0.80 KDM4E (0.34) KDM4ENPC1POLBMAPTPKM
SCHEMBL26312577 0.74 ALDH1A1 (0.46) KDM4ENPC1POLBMAPTPKM
SCHEMBL444405 0.74 GPX4 (0.36) KDM4ENPC1POLBMAPTPKM
SCHEMBL704028 0.72
SCHEMBL13328133 0.70 GPX4 (0.35) KDM4ENPC1POLBMAPTPKM
SCHEMBL9926618 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6743284 0.69 GPX4 (0.40) KDM4ENPC1POLBMAPTPKM
SCHEMBL13939249 0.69 KDM4E (0.35) KDM4ENPC1POLBMAPTPKM
SCHEMBL18372537 0.69 GPX4 (0.36) KDM4ENPC1POLBMAPTPKM
SCHEMBL12170326 0.68 KDM4E (0.37) KDM4ENPC1POLBMAPTPKM

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-8507575-B2 Radiation-sensitive resin composition, polymer, and compound JSR CORPORATION (JP) 2013-08-13 US disclosed
US-20120065291-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER, AND COMPOUND JSR CORPORATION (JP) 2012-03-15 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-20120065291-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER, AND COMPOUND RAD51, RER1, XRCC5 KDM4E 2885/4885NPC1 2291/4885POLB 1192/4885

“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.