SCHEMBL10184848

SCHEMBL10184848

COC(=O)C[C@H]1CC[C@H](c2ccc(C(=O)NCCNC(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ RORC P51449 1/20 0.45
▸ DGAT1 O75907 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CCR2 P41597 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CETP P11597 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL14984450 0.91 DGAT1 (0.47) ALDH1A1LMNAMAPTRORCDGAT1
SCHEMBL13117523 0.87 DGAT1 (0.52) ALDH1A1LMNAMAPTPPARDSMN1; SMN2
SCHEMBL10184298 0.85 ALDH1A1 (0.50) ALDH1A1LMNAMAPTSMN1; SMN2DGAT1
SCHEMBL10186102 0.83 RAB9A (0.54) ALDH1A1LMNAMAPTSMN1; SMN2DGAT1
SCHEMBL10184275 0.82 HPGD (0.54) ALDH1A1LMNAMAPTSMN1; SMN2POLB
SCHEMBL10186109 0.81 HDAC3 (0.47) ALDH1A1SMN1; SMN2DGAT1
SCHEMBL10184835 0.81 HPGD (0.44) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL14984455 0.80 ALDH1A1 (0.52) ALDH1A1LMNAMAPTDGAT1CYP2C9
SCHEMBL10188552 0.78 DGAT1 (0.46) ALDH1A1LMNAMAPTDGAT1KDM4E
SCHEMBL15043518 0.78 ALDH1A1 (0.48) ALDH1A1LMNAMAPTDGAT1MAPK1

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
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 ALDH1A1 963/4885LMNA 2889/4885MAPT 2628/4885

“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.

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