SCHEMBL4547816

SCHEMBL4547816

CCC(CC)C(=O)NCc1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA14 Q9ULX7 1/20 0.63
EPHX2 P34913 1/20 0.59
PPARG P37231 1/20 0.59
SMO Q99835 1/20 0.58
HPGD P15428 4/20 0.57
KMT2A Q03164 2/20 0.55
PKM P14618 1/20 0.55
GAA P10253 1/20 0.54
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL25445337 0.85 HPGD (0.59) HPGDKMT2AGAALMNAL3MBTL1
SCHEMBL27554760 0.83 HPGD (0.54) EPHX2PPARGHPGDKMT2AGAA
SCHEMBL13608946 0.82 KMT2A (0.67) CA1CA2CA7CA14EPHX2
SCHEMBL12375175 0.82 HPGD (0.65) SMOHPGDKMT2AGAALMNA
SCHEMBL13609110 0.82 PPARA (0.67) CA1CA2CA7CA14EPHX2
SCHEMBL13609098 0.81 KMT2A (0.62) CA1CA2CA7CA14EPHX2
SCHEMBL13609113 0.81 PKM (0.57) CA1CA2CA7CA14EPHX2
SCHEMBL13575658 0.80 PPARG (0.56) EPHX2PPARGSMOHPGDKMT2A
SCHEMBL24135058 0.80 PPARG (0.65) CA1CA2CA7CA14EPHX2
SCHEMBL7955857 0.80 HPGD (0.54) HPGDKMT2AGAALMNAL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884032-B2 Trioxane monomers and dimers THE JOHNS HOPKINS UNIVERSITY (US) 2014-11-11 US disclosed
US-20120108545-A1 Trioxane Monomers and Dimers THE JOHNS HOPKINS UNIVERSITY (US) 2012-05-03 US disclosed
US-20090291923-A1 TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES JOHNS HOPKINS UNIVERSOTY (US) 2009-11-26 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-20120108545-A1 Trioxane Monomers and Dimers CDK10, TMSB10, CASP10 CA1 262/4885CA2 1233/4885CA7 2114/4885
US-20090291923-A1 TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES HCCS, XPO5, DHX15 CA1 2425/4885CA2 838/4885CA7 1135/4885

“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.