SCHEMBL3742299

SCHEMBL3742299

CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCNC(=O)CCN(C(=O)CCC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL3742291 0.88 EPHX2 (0.46) EPHX2SIRT2ALDH1A1HPGDMEN1
SCHEMBL3737616 0.84 L3MBTL1 (0.43) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL17599919 0.80 CYP3A4 (0.59) EPHX2MEN1KMT2AMAPTL3MBTL1
SCHEMBL23777326 0.78 TPSAB1 (0.56) EPHX2ALDH1A1HPGDMEN1KMT2A
SCHEMBL3052852 0.78 HTT (0.61) EPHX2MAPTL3MBTL1CYP3A4TPSAB1
SCHEMBL9667908 0.78 HTT (0.61) EPHX2MAPTL3MBTL1CYP3A4TPSAB1
SCHEMBL2417332 0.78 TPSAB1 (0.56) EPHX2ALDH1A1HPGDMEN1KMT2A
SCHEMBL25787604 0.78 HTT (0.61) EPHX2MAPTL3MBTL1CYP3A4TPSAB1
SCHEMBL28379687 0.77 LMNA (0.49) EPHX2ALDH1A1HPGDMEN1KMT2A
SCHEMBL3742296 0.77 EPHX2 (0.47) EPHX2ALDH1A1HPGDMEN1KMT2A

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-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

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 3794/4885SIRT2 880/4885ALDH1A1 3984/4885

“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.