SCHEMBL2459005

SCHEMBL2459005

CCOC(=O)CC(=O)c1cc(F)cc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
CHRM1 P11229 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
NPC1 O15118 1/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CASP3 P42574 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL16213085 0.88 KDM4E (0.58) MEN1KMT2AKDM4EALDH1A1MGAM
SCHEMBL20945667 0.84 LMNA (0.43) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL1167035 0.83 NPC1 (0.55) MEN1KMT2AKDM4EALDH1A1CES2
SCHEMBL4457800 0.83 CES2 (0.46) MEN1KMT2AKDM4EALDH1A1MGAM
SCHEMBL3540104 0.83 ALDH1A1 (0.52) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL29939119 0.82 KDM4E (0.49) MEN1KMT2AKDM4EALDH1A1MGAM
SCHEMBL22209053 0.82 KDM4E (0.49) MEN1KMT2AKDM4EALDH1A1MGAM
SCHEMBL314260 0.82 KMT2A (0.54) MEN1KMT2AKDM4EALDH1A1MGAM
SCHEMBL1167344 0.81 KDM4E (0.63) MEN1KMT2AKDM4EALDH1A1MGAM
SCHEMBL979632 0.81 NPC1 (0.47) MEN1KMT2AKDM4EALDH1A1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975264-B2 Compound acting as a cannabinoid receptor-1 inhibitor AMOREPACIFIC CORPORATION (KR) 2015-03-10 US disclosed
EP-2617723-A2 NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR Amorepacific Corporation (KR) 2013-07-24 EP disclosed
US-20130158025-A1 NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR AMOREPACIFIC CORPORATION (KR) 2013-06-20 US disclosed
CN-103153999-A Novel compounds as cannabinoid receptor-1 inhibitors AMOREPACIFIC CORP 2013-06-12 CN disclosed
US-8372851-B2 Pyrazolo pyrimidines as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2013-02-12 US disclosed
EP-1948663-B1 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-09-14 EP disclosed
US-20100130488-A1 Pyrazolo-Pyrimidines as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2010-05-27 US disclosed
EP-1948663-A2 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 EP disclosed
WO-2007048066-A2 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 WO disclosed
US-6544982-B1 3-aryl-5-aminoisoxazole derivatives MERCK & CO., INC. 2003-04-08 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 (2 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-20100130488-A1 Pyrazolo-Pyrimidines as Casein Kinase II (CK2) Modulators CSNK1A1, CSNK2A1, CSNK2A2 MEN1 4587/4885KMT2A 1688/4885KDM4E 2885/4885
US-20130158025-A1 NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR CNR1, CNR2, GPR18 MEN1 3752/4885KMT2A 2428/4885KDM4E 2294/4885

“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.