SCHEMBL29784241

SCHEMBL29784241

O=C(O)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.61
RXRB P28702 3/20 0.61
DHODH Q02127 6/20 0.56
IGF2BP2 Q9Y6M1 1/20 0.55
SLC13A5 Q86YT5 1/20 0.55
SLC6A7 Q99884 1/20 0.55
AURKA O14965 1/20 0.55
TPX2 Q9ULW0 1/20 0.55
BCL2 P10415 1/20 0.53
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 1/20 0.52
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
TRIM24 O15164 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
MME P08473 1/20 0.50

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
SCHEMBL505417 1.00 RXRA (0.61) RXRARXRBDHODHIGF2BP2SLC13A5
SCHEMBL5515377 0.89 KMO (0.56) RXRARXRBDHODHSLC13A5AURKA
SCHEMBL3745780 0.84 AURKA (0.67) RXRAIGF2BP2AURKATPX2
SCHEMBL505538 0.83 AURKA (0.69) RXRARXRBIGF2BP2AURKATPX2
SCHEMBL5840598 0.83 SLC13A5 (0.51) DHODHSLC13A5FFAR1FFAR4MME
SCHEMBL4900087 0.82 CSNK2A2 (0.51) RXRARXRBDHODHSLC6A7CSNK2A2
SCHEMBL496275 0.82 MRGPRX4 (0.61) AURKATPX2
SCHEMBL29459930 0.82 MRGPRX4 (0.61) AURKATPX2
SCHEMBL9138429 0.81 FAAH (0.61) AURKATPX2
SCHEMBL2744656 0.80 ABL1 (0.51) RXRARXRBDHODHIGF2BP2CSNK2A2

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-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 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-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG RXRA 4515/4885RXRB 4498/4885DHODH 2569/4885

“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.