SCHEMBL8962259

SCHEMBL8962259

CC(C)(C)NC(=O)OC(C)(C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DGAT1 O75907 1/20 0.30
IMPDH2 P12268 1/20 0.30
IMPDH1 P20839 1/20 0.30

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
SCHEMBL14586293 0.86 PTGER1 (0.32) EPHX1POLB
SCHEMBL14586324 0.81 EPHX1 (0.31) EPHX1POLB
SCHEMBL132657 0.79 DGAT1 (0.42) MEN1KMT2ADGAT1
SCHEMBL23867400 0.77 KDM4E (0.32) DGAT1
Ammonia Solution, Strong SCHEMBL9998482 0.77 DGAT1 (0.41) MEN1KMT2ADGAT1
SCHEMBL19139139 0.77 EPHX1 (0.34) EPHX1POLBMEN1KMT2ADGAT1
SCHEMBL24019746 0.75 EPHX1 (0.33) EPHX1POLBMEN1KMT2ADGAT1
SCHEMBL1289839 0.74
SCHEMBL14586323 0.73 EPHX1 (0.37) EPHX1POLBMEN1KMT2A
SCHEMBL22001990 0.73 GAA (0.33) EPHX1POLBMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200188524-A1 MOLECULAR LOGIC GATES FOR CONTROLLED MATERIAL DEGRADATION UNIVERSITY OF WASHINGTON 2020-06-18 US disclosed
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20110077237-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 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 (4 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 EPHX1 2260/4885POLB 1396/4885MEN1 1427/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 EPHX1 2260/4885POLB 1396/4885MEN1 1427/4885
US-20200188524-A1 MOLECULAR LOGIC GATES FOR CONTROLLED MATERIAL DEGRADATION LIG4, LIG1, PCNA EPHX1 1037/4885POLB 273/4885MEN1 620/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 EPHX1 2260/4885POLB 1396/4885MEN1 1427/4885

“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.