SCHEMBL3763763

SCHEMBL3763763

CC(C)(C)OC(=O)N(CCC=O)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.37
ADH1A P07327 4/20 0.35
ADH1C P00326 3/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HSD11B1 P28845 3/20 0.32
GAA P10253 1/20 0.32
S1PR1 P21453 1/20 0.32
DPP4 P27487 1/20 0.31

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
SCHEMBL923554 0.86 EPHX1 (0.39) EPHX1ADH1AADH1CHSD11B1GAA
SCHEMBL8167342 0.84 EPHX1 (0.37) EPHX1ADH1AADH1CHDAC6HSD11B1
SCHEMBL4717930 0.84 HDAC6 (0.33) HDAC6DPP4
SCHEMBL15778145 0.83 CNR2 (0.31) HDAC6
SCHEMBL13494079 0.83 ADH1A (0.41) EPHX1ADH1AADH1CHSD11B1GAA
SCHEMBL1067463 0.83 EPHX1 (0.36) EPHX1HSD11B1GAADPP4
SCHEMBL25736668 0.82 EPHX1 (0.38) EPHX1HDAC6HSD11B1GAA
SCHEMBL10323856 0.81 CA14 (0.34) EPHX1HSD11B1GAADPP4
SCHEMBL27510109 0.81 EPHX1 (0.39) EPHX1HSD11B1GAADPP4
SCHEMBL9200042 0.81 KDM5A (0.38) EPHX1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1890703-B1 PYRIMIDINE COMPOUNDS AS CHEMOKINE RECEPTORS INHIBITORS TAIGEN BIOTECHNOLOGY CO LTD (TW) 2016-05-11 EP disclosed
US-9023834-B2 Lyophilization formulation TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2015-05-05 US disclosed
US-8372849-B2 Heterocyclic compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2013-02-12 US disclosed
US-8193206-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-06-05 US disclosed
US-8193206-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-06-05 US disclosed
EP-2195314-A1 DISUBSTITUTED ALKYL-8-AZABICYCLO [3.2.1.]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2010-06-16 EP disclosed
US-20100120719-A1 LYOPHILIZATION FORMULATION TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2010-05-13 US disclosed
US-20090264339-A1 Heterocyclic Compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-10-22 US disclosed
US-7589197-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY (TW) 2009-09-15 US disclosed
US-7589197-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY (TW) 2009-09-15 US disclosed
US-20090143302-A1 PYRIMIDINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-06-04 US disclosed
US-20090143302-A1 PYRIMIDINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-06-04 US disclosed
WO-2009029257-A1 DISUBSTITUTED ALKYL-8-AZABICYCLO [3.2.1.] OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-03-05 WO 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 (3 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-20090143302-A1 PYRIMIDINE COMPOUNDS TYMS, TYMP, HPRT1 EPHX1 368/4885ADH1A 3388/4885ADH1C 3280/4885
US-20100120719-A1 LYOPHILIZATION FORMULATION DPYD, TYMP, TYMS EPHX1 2422/4885ADH1A 2765/4885ADH1C 2537/4885
US-20090264339-A1 Heterocyclic Compounds AHR, NQO1, LTC4S EPHX1 105/4885ADH1A 1495/4885ADH1C 630/4885

“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.