SCHEMBL3742296

SCHEMBL3742296

CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCNC(=O)CCNC(=O)OC(C)(C)CCCC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 2/20 0.45
TPSAB1 Q15661 3/20 0.44
TPSD1 Q9BZJ3 3/20 0.44
TPSG1 Q9NRR2 3/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TGM2 P21980 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL17599919 0.88 CYP3A4 (0.59) EPHX2CYP3A4MAPTTPSAB1TPSD1
SCHEMBL7310718 0.86 CYP3A4 (0.56) EPHX2CYP3A4MAPTTPSAB1TPSD1
SCHEMBL23777326 0.85 TPSAB1 (0.56) EPHX2CYP3A4MAPTTPSAB1TPSD1
SCHEMBL2417332 0.85 TPSAB1 (0.56) EPHX2CYP3A4MAPTTPSAB1TPSD1
SCHEMBL3737614 0.85 HTT (0.54) EPHX2TPSAB1TPSD1TPSG1HTT
SCHEMBL4924340 0.84 HTT (0.56) EPHX2CYP3A4MAPTTPSAB1TPSD1
SCHEMBL15653279 0.83 HTT (0.59) EPHX2CYP3A4MAPTTPSAB1TPSD1
SCHEMBL25787604 0.83 HTT (0.61) EPHX2CYP3A4MAPTTPSAB1TPSD1
SCHEMBL9667908 0.83 HTT (0.61) EPHX2CYP3A4MAPTTPSAB1TPSD1
SCHEMBL3052852 0.83 HTT (0.61) EPHX2CYP3A4MAPTTPSAB1TPSD1

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 3794/4885CYP3A4 735/4885MAPT 3755/4885

“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.