SCHEMBL1664583

SCHEMBL1664583

O=C(OCCCCCc1ccccc1)C1CC2OC2CC1C(=O)OCCCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.51
FKBP1A P62942 2/20 0.50
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL2032601 0.85 NAAA (0.50) NAAAFKBP1AMEN1POLBKMT2A
SCHEMBL1664418 0.84 NAAA (0.44) NAAACHRM2CHRM4CHRM5CHRM1
SCHEMBL27176007 0.83 FKBP1A (0.58) NAAAFKBP1ALMNA
SCHEMBL1664580 0.80 L3MBTL1 (0.54) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL1663378 0.80 NAAA (0.46) NAAAFKBP1ACHRM2CHRM4CHRM5
SCHEMBL28457843 0.80 FKBP1A (0.54) NAAAFKBP1ACHRM2CHRM4CHRM5
SCHEMBL27205298 0.80 FKBP1A (0.55) NAAAFKBP1ALMNA
SCHEMBL1664276 0.78 NAAA (0.43) NAAAFKBP1ACHRM2CHRM4CHRM5
SCHEMBL1663782 0.77 FKBP1A (0.47) NAAAFKBP1ALMNA
SCHEMBL27567105 0.77 FKBP1A (0.52) NAAAFKBP1AALDH1A1SMN1; SMN2LMNA

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
WO-2011071674-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2011-06-16 WO disclosed
EP-2307476-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2011-04-13 EP disclosed
US-20100113664-A1 Asymmetric Cyclic Diester Compounds FERRO CORPORATION (US) 2010-05-06 US disclosed
WO-2009152068-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2009-12-17 WO disclosed
US-20090312470-A1 Asymmetric Cyclic Diester Compounds FERRO CORPORATION (US) 2009-12-17 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-20090312470-A1 Asymmetric Cyclic Diester Compounds DDT, PCNA, AADAC NAAA 509/4885FKBP1A 666/4885MEN1 2785/4885

“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.