SCHEMBL2848440

SCHEMBL2848440

CCOC(=O)CCc1ccc(OCC)c(OCC)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.59
CYP4A11 Q02928 1/20 0.59
KMT2A Q03164 4/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 2/20 0.49
AKR1C3 P42330 1/20 0.49
HPGD P15428 1/20 0.49
CYP4Z1 Q86W10 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL5685284 0.93 CALM1 (0.57) CYP4F2CYP4A11KMT2AALDH1A1GAA
SCHEMBL8890494 0.89 APP (0.61) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL5688186 0.89 CYP4F2 (0.49) CYP4F2CYP4A11KMT2AMEN1ALDH1A1
SCHEMBL8984892 0.89 CYP4F2 (0.58) CYP4F2CYP4A11KMT2AMEN1ALDH1A1
SCHEMBL1550337 0.88 CYP4F2 (0.56) CYP4F2CYP4A11KMT2AMEN1ALDH1A1
SCHEMBL5685688 0.86 CYP4F2 (0.51) CYP4F2CYP4A11KMT2AMEN1GAA
Hydrochloric Acid SCHEMBL6986554 0.85 CYP4F2 (0.54) CYP4F2CYP4A11KMT2AALDH1A1KDM4E
SCHEMBL491276 0.84 CYP4F2 (0.59) CYP4F2CYP4A11KMT2AMEN1CYP1A2
SCHEMBL29463785 0.84 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL5489263 0.84 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A CYP4F2 1317/4885CYP4A11 1179/4885KMT2A 2899/4885

“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.