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SCHEMBL16068697

SCHEMBL16068697

COC(=O)C(C(=O)OC(C)(C)C)(c1ccc(F)cc1F)C(F)(F)Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ DGAT1 O75907 1/20 0.36
▸ KCNN4 O15554 1/20 0.35
▸ RORC P51449 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ NR3C2 P08235 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRA4 P48169 1/20 0.32

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
SCHEMBL17434606 0.88 KCNN4 (0.39) HDAC6HDAC3HDAC1HDAC2KCNN4
SCHEMBL15670481 0.78 KCNN4 (0.40) HDAC6HDAC3HDAC1HDAC2DGAT1
SCHEMBL16068700 0.78 PDK1 (0.41) DGAT1SMN1; SMN2CYP3A4
SCHEMBL31560826 0.77 HDAC6 (0.43) HDAC6HDAC3HDAC1HDAC2KCNN4
SCHEMBL8780648 0.74 HDAC6 (0.43) HDAC6HDAC3HDAC1HDAC2KCNN4
SCHEMBL3178998 0.72 KCNN4 (0.43) HDAC6HDAC3HDAC1HDAC2KCNN4
SCHEMBL17041228 0.71 HDAC6 (0.46) HDAC6HDAC3HDAC1HDAC2KCNN4
SCHEMBL20306541 0.68 KCNN4 (0.42) HDAC6HDAC3HDAC1HDAC2KCNN4
SCHEMBL2891442 0.67 DGAT1 (0.37) DGAT1
SCHEMBL2898661 0.67 DGAT1 (0.37) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 — — US disclosed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 — — US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 — — US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 — — US disclosed
WO-2014142307-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF 公益財団法人相模中央化学研究所 (JP) 2014-09-18 — — WO 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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 HDAC6 1543/4885HDAC3 550/4885HDAC1 755/4885

“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.