SCHEMBL3024615

SCHEMBL3024615

CC(=CC(=O)O)c1cc(F)c(N)cc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 1/20 0.33
HDAC1 Q13547 3/20 0.32
HDAC6 Q9UBN7 1/20 0.31
DHODH Q02127 1/20 0.30
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
CYP3A4 P08684 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
RXRA P19793 1/20 0.30
PPARG P37231 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
SCHEMBL3024614 1.00 NR4A1 (0.37) NR4A1NR4A2NR4A3KEAP1NFE2L2
SCHEMBL3018312 0.78 MAPT (0.41) NR4A1NR4A2NR4A3KEAP1HDAC1
SCHEMBL3018315 0.78 MAPT (0.41) NR4A1NR4A2NR4A3KEAP1HDAC1
SCHEMBL8282300 0.77 TSHR (0.39) KEAP1HDAC1HDAC6HSD17B1HSD17B2
SCHEMBL99199 0.75 KEAP1 (0.50) KEAP1NFE2L2HDAC1HDAC6CYP3A4
SCHEMBL1431697 0.74 CES2 (0.55) NR4A1NR4A2NR4A3KEAP1
SCHEMBL6938702 0.74 CES2 (0.55) NR4A1NR4A2NR4A3
Hydrochloric Acid SCHEMBL3024028 0.73 HDAC1 (0.50) NR4A1NR4A2NR4A3KEAP1HDAC1
Hydrochloric Acid SCHEMBL3024030 0.73 HDAC1 (0.50) NR4A1NR4A2NR4A3KEAP1HDAC1
SCHEMBL13575479 0.71 DGAT1 (0.48) KEAP1HDAC1HDAC6HSD17B1HSD17B2

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-7855300-B2 Bis(trimethylsilyl)phenyl compound or salt thereof, and use thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20100210591-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
EP-2202235-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2010-06-30 EP 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-20100210591-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF RARA, RARB, RXRA NR4A1 30/4885NR4A2 35/4885NR4A3 33/4885

“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.