SCHEMBL3742291

SCHEMBL3742291

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 1/20 0.41
CCR6 P51684 1/20 0.40
PAX8 Q06710 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC3 O15379 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
TPSAB1 Q15661 2/20 0.39
TPSD1 Q9BZJ3 2/20 0.39
TPSG1 Q9NRR2 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 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
SCHEMBL3742299 0.88 EPHX2 (0.43) EPHX2SIRT2HPGDMEN1ALDH1A1
SCHEMBL20089220 0.86 L3MBTL1 (0.46) ALDH1A1L3MBTL1CCR6PAX8HDAC1
SCHEMBL3664799 0.86 MEN1 (0.43) HPGDMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL3737611 0.83 HDAC3 (0.46) ALDH1A1L3MBTL1CCR6PAX8HDAC1
SCHEMBL3729589 0.83 CA14 (0.47) EPHX2L3MBTL1CYP3A4HDAC1HDAC2
SCHEMBL17599919 0.82 CYP3A4 (0.59) EPHX2MEN1KMT2AMAPTL3MBTL1
SCHEMBL19879681 0.82 CCR6 (0.49) MEN1KMT2AMAPTL3MBTL1CYP3A4
SCHEMBL9766179 0.81 CCR6 (0.53) MAPTCCR6PAX8TPSAB1TPSD1
SCHEMBL23777326 0.80 TPSAB1 (0.56) EPHX2HPGDMEN1ALDH1A1KMT2A
SCHEMBL3052852 0.80 HTT (0.61) EPHX2MAPTL3MBTL1CYP3A4TPSAB1

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 3 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
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 3794/4885SIRT2 880/4885HPGD 774/4885

“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.