SCHEMBL16865336

SCHEMBL16865336

CCOC(=O)CC(=O)/C=C/c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
GSK3B P49841 1/20 0.53
MAOB P27338 3/20 0.52
CYP1A2 P05177 2/20 0.51
PTGS2 P35354 2/20 0.50
NOS3 P29474 2/20 0.50
NOS1 P29475 2/20 0.50
NOS2 P35228 2/20 0.50
AKR1B10 O60218 1/20 0.50
AKR1B1 P15121 1/20 0.50
GLO1 Q04760 1/20 0.50
CAMK2A Q9UQM7 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL9297329 1.00 KDM4E (0.53) KDM4EGSK3BMAOBCYP1A2PTGS2
SCHEMBL1703010 0.88 MAOB (0.50) KDM4EGSK3BMAOBCYP1A2PTGS2
SCHEMBL1703009 0.88 MAOB (0.50) KDM4EGSK3BMAOBCYP1A2PTGS2
SCHEMBL11547026 0.87 RAB9A (0.57) KDM4EGSK3BMAOBPTGS2AKR1B10
SCHEMBL10759485 0.87 GSK3B (0.60) GSK3BMAOBCYP1A2PTGS2NOS3
SCHEMBL10759487 0.87 GSK3B (0.60) GSK3BMAOBCYP1A2PTGS2NOS3
SCHEMBL8467685 0.86 AKR1B1 (0.71) GSK3BMAOBPTGS2AKR1B10AKR1B1
SCHEMBL17691540 0.85 CYP1A2 (0.69) GSK3BMAOBCYP1A2PTGS2AKR1B10
SCHEMBL11743227 0.84 GSK3B (0.53) KDM4EGSK3BMAOBCYP1A2PTGS2
SCHEMBL11453495 0.84 ALDH1A1 (0.58) KDM4EGSK3BMAOBCYP1A2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 US disclosed
US-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 US disclosed
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 US disclosed
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 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-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO LSS, CYP51A1, FASN KDM4E 4225/4885GSK3B 189/4885MAOB 827/4885

“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.