SCHEMBL663871

SCHEMBL663871

CC(C)(C)OC(=O)c1cc(F)c(O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
POLB P06746 3/20 0.37
APEX1 P27695 1/20 0.37
MAPT P10636 1/20 0.35
MIF P14174 1/20 0.35
SERPINE1 P05121 2/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRA6 Q16445 1/20 0.33
MTNR1A P48039 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
SCHEMBL364791 0.87 POLB (0.40) EGFRPOLBAPEX1MAPTCA12
SCHEMBL23785506 0.82 ALDH1A1 (0.38) EGFRPOLBAPEX1GABRA1GABRG2
SCHEMBL15924405 0.81 AAK1 (0.43) EGFRPOLBAPEX1CA12CA1
SCHEMBL23753239 0.81 SOS1 (0.37) EGFRPOLBAPEX1CA12CA1
SCHEMBL356934 0.81 CFTR (0.34) EGFRPOLBAPEX1CA12CA1
SCHEMBL23906095 0.79 CA12 (0.48) POLBMAPTCA12CA1CA2
SCHEMBL26616023 0.79 AR (0.37) POLBLMNANFKB1NFKB2RELA
SCHEMBL13304082 0.79 MTNR1A (0.47) MTNR1AMTNR1BLMNANFKB1NFKB2
SCHEMBL10260913 0.79 GABRG2 (0.36) EGFRGABRA1GABRG2GABRB3GABRA5
SCHEMBL23753258 0.78 ERN1 (0.36) EGFRPOLBAPEX1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 EGFR 4767/4885POLB 3114/4885APEX1 3655/4885

“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.