SCHEMBL17859982

SCHEMBL17859982

O=C1OC(=O)c2cc(C(F)(F)F)c3c4ccc5c6c(cc(C(F)(F)F)c(c7ccc1c2c73)c64)C(=O)OC5=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 4/20 0.38
▸ AR P10275 10/20 0.36
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HSD17B3 P37058 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2609650 0.78 NPC1 (0.38) TYMSARMEN1KMT2AATM
SCHEMBL1188564 0.77 TYMS (0.41) TYMSALOX15TDP1MEN1ALDH1A1
SCHEMBL27085505 0.75 TYMS (0.51) TYMSARALOX15TDP1KDM4E
SCHEMBL24166827 0.75 TYMS (0.42) TYMSCYP1A2ALOX15TDP1MEN1
SCHEMBL19239490 0.74 MEN1 (0.40) ARALOX15KDM4EMEN1ALDH1A1
SCHEMBL12296041 0.74 TYMS (0.41) TYMSALOX15TDP1MEN1ALDH1A1
SCHEMBL29580210 0.74 TYMS (0.41) TYMSALOX15TDP1MEN1ALDH1A1
SCHEMBL4324585 0.74 TYMS (0.41) TYMSALOX15TDP1MEN1ALDH1A1
SCHEMBL2607526 0.74 TYMS (0.41) TYMSARALOX15TDP1MEN1
SCHEMBL32670397 0.74 TYMS (0.41) TYMSALOX15TDP1MEN1ALDH1A1

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-20160175292-A1 Antioxidants Having Aromatic Structures Reacting with Superoxide TOUR JAMES (US) 2016-06-23 — — 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-20160175292-A1 Antioxidants Having Aromatic Structures Reacting with Superoxide GPX4, TXN2, MPO TYMS 1370/4885AR 2174/4885CYP1A1 482/4885

“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.

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