SCHEMBL3496188

SCHEMBL3496188

CCOC(=O)C(=O)C(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 1/20 0.44
LMNA P02545 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
HSD17B10 Q99714 1/20 0.42
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 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
SCHEMBL11228401 0.85 MMP8 (0.55) MMP8MEN1KMT2AALDH1A1NPC1
SCHEMBL6908528 0.85 MMP8 (0.64) MMP8MEN1KMT2AALDH1A1NPC1
SCHEMBL6558799 0.85 MMP8 (0.64) MMP8MEN1KMT2AALDH1A1NPC1
SCHEMBL10965475 0.84 MMP8 (0.62) MMP8MEN1KMT2AALDH1A1NPC1
SCHEMBL1741190 0.81 ALDH1A1 (0.53) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL2911173 0.79 ALDH1A1 (0.51) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL3492120 0.78 KMO (0.52) ALDH1A1MAPTTSHRL3MBTL1SMN1; SMN2
SCHEMBL8200333 0.78 MMP8 (0.55) MMP8MEN1KMT2AALDH1A1NPC1
SCHEMBL7092555 0.78 MMP8 (0.59) MMP8MEN1KMT2ANPC1TSHR
SCHEMBL7636543 0.77 MEN1 (0.54) MMP8MEN1KMT2AALDH1A1MAPT

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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 MMP8 1769/4885MEN1 750/4885KMT2A 952/4885

“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.