SCHEMBL664030

SCHEMBL664030

COc1cc(OC2CCC(C(=O)O)CC2)ccc1C(=O)NCCNC(=O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 3/20 0.47
GAA P10253 1/20 0.45
CCR3 P51677 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
MCHR1 Q99705 1/20 0.41
DGAT1 O75907 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
SCHEMBL664029 1.00 MAPT (0.47) MAPTLMNAHPGDKMT2ATP53
SCHEMBL10185062 0.94 HPGD (0.47) MAPTLMNAHPGDKMT2ATP53
SCHEMBL10186424 0.89 ALDH1A1 (0.46) SMN1; SMN2KDM4EALDH1A1PTGDR2DGAT1
SCHEMBL10185133 0.89 LMNA (0.50) LMNAHPGDKMT2AGAAHSD17B10
SCHEMBL10186435 0.88 HRH3 (0.45) KMT2ACCR3SMN1; SMN2KDM4EALDH1A1
SCHEMBL10184396 0.87 KDM4E (0.44) MAPTLMNAHPGDGAASMN1; SMN2
SCHEMBL10185026 0.86 HRH3 (0.44) KMT2ASMN1; SMN2KDM4EALDH1A1PTGDR2
SCHEMBL10184961 0.86 DGAT1 (0.43) KMT2ACCR3SMN1; SMN2KDM4EALDH1A1
SCHEMBL663534 0.85 DGAT1 (0.49) KMT2ASMN1; SMN2KDM4EALDH1A1DGAT1
SCHEMBL663535 0.85 DGAT1 (0.49) KMT2ASMN1; SMN2KDM4EALDH1A1DGAT1

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 MAPT 2628/4885LMNA 2889/4885HPGD 3492/4885

“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.