SCHEMBL10148394

SCHEMBL10148394

O=C(O)c1cc(F)c(C2CC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
SCN9A Q15858 2/20 0.39
POLB P06746 1/20 0.36
ACMSD Q8TDX5 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
STING1 Q86WV6 1/20 0.34
HPGD P15428 1/20 0.34
ROCK2 O75116 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACLY P53396 1/20 0.33
ALB P02768 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
SCHEMBL9731761 0.85 ROCK2 (0.40) NOTUMMAPTKDM4EASPHKDM8
SCHEMBL9731082 0.85 ASAH1 (0.39) NOTUMMAPT
Hydrochloric Acid SCHEMBL9731278 0.84 ROCK2 (0.40) NOTUMMAPTKDM4EASPHKDM8
Hydrochloric Acid SCHEMBL9731533 0.84 ASAH1 (0.39) NOTUMMAPT
SCHEMBL9731042 0.83 TLR9 (0.45) KDM4EPOLBHPGDALDH1A1SMN1; SMN2
SCHEMBL18272375 0.81 ACMSD (0.40) NOTUMMAPTKDM4EASPHKDM8
SCHEMBL24518541 0.81 SLC9A1 (0.40) NOTUMASPHKDM4C
SCHEMBL9732085 0.80 TRPV1 (0.37) KDM4EHPGDROCK2ALDH1A1
SCHEMBL15544129 0.79 SLC6A3 (0.39) NOTUMSCN9AHPGDALDH1A1
SCHEMBL1713733 0.78 KDM4E (0.54) NOTUMKDM4EASPHKDM8KEAP1

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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 NOTUM 215/4885MAPT 2628/4885KDM4E 3060/4885

“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.