SCHEMBL31205972

SCHEMBL31205972

CCCCCc1ccc(NC2CCC(NC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
EPHX2 P34913 1/20 0.55
SPHK1 Q9NYA1 4/20 0.45
CNR1 P21554 6/20 0.43
CNR2 P34972 6/20 0.43
THRA P10827 3/20 0.43
THRB P10828 3/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 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
SCHEMBL31206178 0.96 EPHX1 (0.50) EPHX1EPHX2KDM1AMAOBDRD2
SCHEMBL25042210 0.89 EPHX1 (0.42) EPHX1EPHX2KDM1AMAOBDRD2
SCHEMBL31205868 0.89 EPHX1 (0.42) EPHX1EPHX2KDM1AMAOBDRD2
SCHEMBL31206194 0.85 CNR1 (0.49) CNR1CNR2KDM1AMAOBDRD2
SCHEMBL26554480 0.84 NAMPT (0.56) EPHX1EPHX2SPHK1CNR2
SCHEMBL31206125 0.83 CNR2 (0.41) EPHX1EPHX2CNR1CNR2KDM1A
SCHEMBL25041556 0.83 CNR2 (0.41) EPHX1EPHX2CNR1CNR2KDM1A
SCHEMBL14418239 0.82 PLK1 (0.50) EPHX1EPHX2SPHK1KDM1AMAOB
SCHEMBL10112890 0.82 PLK1 (0.50) EPHX1EPHX2SPHK1KDM1AMAOB
SCHEMBL31206094 0.81 DRD2 (0.48) EPHX2KDM1AMAOBDRD2DRD3

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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 EPHX1 1233/4885EPHX2 1958/4885SPHK1 1111/4885

“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.