SCHEMBL2219500

SCHEMBL2219500

CCOC(=O)/C(C)=C/C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.40
EPHX1 P07099 1/20 0.40
BTK Q06187 1/20 0.39
DRD3 P35462 2/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
CTSK P43235 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL16541610 1.00 DRD2 (0.40) DRD2EPHX1BTKDRD3KDM1A
SCHEMBL2219507 1.00 DRD2 (0.40) DRD2EPHX1BTKDRD3KDM1A
SCHEMBL12514180 0.82 DRD2 (0.43) DRD2EPHX1BTKDRD3KDM1A
SCHEMBL2219608 0.80 DRD2 (0.43) DRD2EPHX1BTKDRD3KDM1A
SCHEMBL12514607 0.80 DRD2 (0.43) DRD2EPHX1BTKDRD3KDM1A
SCHEMBL2219619 0.80 DRD2 (0.43) DRD2EPHX1BTKDRD3KDM1A
SCHEMBL30199537 0.79 DRD2 (0.41) DRD2EPHX1BTKDRD3KDM1A
SCHEMBL224930 0.77 EPHX1 (0.51) DRD2EPHX1BTKDRD3KDM1A
SCHEMBL11921121 0.77 EPHX1 (0.51) DRD2EPHX1BTKDRD3KDM1A
SCHEMBL224929 0.77 EPHX1 (0.51) DRD2EPHX1BTKDRD3KDM1A

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
US-8969405-B2 Anticancer compounds and methods of making and using same ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2015-03-03 US disclosed
US-20110178098-A1 ANTICANCER COMPOUNDS AND METHODS OF MAKING AND USING SAME ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2011-07-21 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-20110178098-A1 ANTICANCER COMPOUNDS AND METHODS OF MAKING AND USING SAME MKI67, MCL1, BAD DRD2 3942/4885EPHX1 3563/4885BTK 2809/4885

“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.