SCHEMBL21458994

SCHEMBL21458994

COC(=O)CCCCCCC(=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
PKM P14618 1/20 0.52
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA13 Q8N1Q1 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
TSHR P16473 3/20 0.39
PTPRC P08575 2/20 0.39
PTPN13 Q12923 1/20 0.39

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
SCHEMBL19407510 1.00 MEN1 (0.70) MEN1KMT2APKMGAARECQL
SCHEMBL19407437 0.87 MEN1 (0.52) MEN1KMT2APKMGAARECQL
SCHEMBL19407452 0.85 MEN1 (0.49) MEN1KMT2AGAARORC
SCHEMBL21458992 0.85 MEN1 (0.49) MEN1KMT2AGAARORC
SCHEMBL21459121 0.82 MEN1 (0.51) MEN1KMT2AGAATSHRMAPT
SCHEMBL19407450 0.79 GAA (0.47) MEN1KMT2AGAATSHRMAPT
SCHEMBL19385974 0.78 MEN1 (0.48) MEN1KMT2APKMGAATSHR
SCHEMBL19407543 0.76 HDAC1 (0.54) MEN1KMT2AGAATSHRMAPT
SCHEMBL15480437 0.76 MEN1 (0.67) MEN1KMT2AGAATSHRHDAC8
SCHEMBL21459153 0.74 MEN1 (0.46) MEN1KMT2ATSHRRORCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563045-B Pd (II) -catalysed enantioselective beta-methylene C (sp) 3 ) -H bond activation 斯克里普斯研究学院 2022-08-23 CN disclosed
US-11186563-B2 Pd(II)-catalyzed enantioselective β-methylene C(sp3)—H bond activation THE SCRIPPS RESEARCH INSTITUTE (US) 2021-11-30 US disclosed
US-11186563-B2 Pd(II)-catalyzed enantioselective β-methylene C(sp3)—H bond activation THE SCRIPPS RESEARCH INSTITUTE (US) 2021-11-30 US disclosed
US-20190315710-A1 Pd(II)-catalyzed Enantioselective Beta-Methylene C(sp3)–H Bond Activation THE SCRIPPS RESEARCH INSTITUTE 2019-10-17 US disclosed
US-20190315710-A1 Pd(II)-catalyzed Enantioselective Beta-Methylene C(sp3)–H Bond Activation THE SCRIPPS RESEARCH INSTITUTE 2019-10-17 US disclosed
CN-109563045-A Pd (II) -catalyzed enantioselectivity β -methylene C (sp)3) -H bond activation 斯克里普斯研究学院 2019-04-02 CN 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-20190315710-A1 Pd(II)-catalyzed Enantioselective Beta-Methylene C(sp3)–H Bond Activation POLQ, AP3D1, AP3S1 MEN1 3613/4885KMT2A 787/4885PKM 1256/4885
US-11186563-B2 Pd(II)-catalyzed enantioselective β-methylene C(sp3)—H bond activation POLQ, AP3D1, AP3S1 MEN1 3604/4885KMT2A 666/4885PKM 1230/4885

“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.