SCHEMBL1852100

SCHEMBL1852100

OCCc1cccc(OBOc2cccc(CCO)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.61
CYP4A11 Q02928 3/20 0.61
TDP1 Q9NUW8 1/20 0.46
TAAR1 Q96RJ0 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX5 P09917 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
BACE1 P56817 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
SIGMAR1 Q99720 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 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
SCHEMBL4938821 0.91 CYP4F2 (0.51) CYP4F2CYP4A11TDP1TAAR1CHRM2
SCHEMBL551531 0.86 TSHR (0.46) CYP4F2CYP4A11TAAR1
SCHEMBL4619437 0.80 FFAR1 (0.55) TDP1
SCHEMBL43521 0.80 TAAR1 (0.67) CYP4F2CYP4A11TAAR1CHRM2CHRM1
SCHEMBL10334435 0.78 CYP4F2 (0.69) CYP4F2CYP4A11TDP1TAAR1ALDH1A1
SCHEMBL2347947 0.78 CYP4F2 (0.69) CYP4F2CYP4A11TDP1KDM4EALDH1A1
SCHEMBL239199 0.78 TDP1 (0.65) CYP4F2CYP4A11TDP1TAAR1KDM4E
SCHEMBL2525689 0.78 KDM4E (0.46) TDP1TAAR1KDM4EALDH1A1GAA
SCHEMBL19953 0.78 PNMT (0.47) TAAR1
SCHEMBL6352353 0.78 TSHR (0.41) CYP4F2CYP4A11TAAR1ALDH1A1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828346-B2 N-myristoyl transferase inhibitors UNIVERSITY OF DUNDEE (GB) 2017-11-28 US disclosed
EP-2980076-B1 Pyrazolyl derivatives UNIV DUNDEE (GB) 2017-05-31 EP disclosed
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIVERSITY OF DUNDEE (GB) 2016-03-03 US disclosed
EP-2980076-A1 PYRAZOLYL DERIVATIVES University of Dundee (GB) 2016-02-03 EP disclosed
US-9156811-B2 N-myristoyl transferase inhibitors Univeristy of Dundee (GB) 2015-10-13 US disclosed
EP-2323987-B1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIV DUNDEE (GB) 2015-06-24 EP disclosed
US-20110312921-A1 N-Myristoyl Transferase Inhibitors DUNDEE, UNIVERSITY OF (GB) 2011-12-22 US disclosed
EP-2323987-A1 N-MYRISTOYL TRANSFERASE INHIBITORS University of Dundee (GB) 2011-05-25 EP disclosed
WO-2010026365-A1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIVERSITY OF DUNDEE (GB) 2010-03-11 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 (2 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-20110312921-A1 N-Myristoyl Transferase Inhibitors GNMT, NNMT, SPTLC1 CYP4F2 3008/4885CYP4A11 2991/4885TDP1 3138/4885
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS GNMT, NNMT, SPTLC1 CYP4F2 3008/4885CYP4A11 2991/4885TDP1 3138/4885

“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.