SCHEMBL3732519

SCHEMBL3732519

CC(C)(C)OC(=O)CCCCCCCCCCCCCCNC(=O)CN(CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.44
▸ CA14 Q9ULX7 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.38
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ PRMT1 Q99873 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CHRM2 P08172 2/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM3 P20309 2/20 0.33

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
SCHEMBL3663863 0.90 EPHX2 (0.44) EPHX2CA14TDP1HDAC1HDAC2
SCHEMBL3729589 0.85 CA14 (0.47) EPHX2CA14TDP1HDAC1HDAC2
SCHEMBL12999775 0.80 CTSK (0.38) CA14HDAC1HDAC2GAACYP3A4
SCHEMBL20556419 0.79 EPHX2 (0.51) EPHX2TDP1HDAC1HDAC2HDAC6
SCHEMBL22271569 0.78 EPHX2 (0.51) EPHX2TDP1HDAC1HDAC2HDAC6
SCHEMBL17746937 0.76 KDM4E (0.49) EPHX2TDP1HDAC1HDAC2HDAC6
SCHEMBL31226269 0.76 KDM4E (0.49) EPHX2TDP1HDAC1HDAC2HDAC6
SCHEMBL806270 0.76 MEN1 (0.57) EPHX2TDP1MAOAMAOBMEN1
SCHEMBL9978229 0.76 KIF11 (0.36) CA14HDAC1HDAC2
SCHEMBL4918504 0.75 CA14 (0.37) CA14HDAC1HDAC2HDAC6

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
EP-2217621-B1 INSULIN DERIVATIVE NOVO NORDISK AS (DK) 2015-04-22 — — EP disclosed
US-8710000-B2 Insulin derivative NOVO NORDISK A/S (DK) 2014-04-29 — — US disclosed
US-20100279931-A1 Insulin Derivative NOVO NORDISK A/S 2010-11-04 — — US disclosed
EP-2058330-A1 Insulin derivative NOVO NORDISK A/S (DK) 2009-05-13 — — EP 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-20100279931-A1 Insulin Derivative IAPP, INSR, GPR119 EPHX2 3794/4885CA14 1790/4885TDP1 4552/4885

“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.

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