SCHEMBL4072031

SCHEMBL4072031

COc1cc([N+](=O)[O-])cc(OC)c1OCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
PKM P14618 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.48
HPGD P15428 1/20 0.48
ERN1 O75460 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 4/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRK6 P43250 1/20 0.45
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL14390762 0.91 KDM4E (0.47) KDM4EPKMALOX15TSHRHSD17B10
SCHEMBL29953284 0.88 ERN1 (0.59) KDM4EPKMALOX15TSHRHSD17B10
SCHEMBL1326587 0.82 ALDH1A1 (0.53) KDM4EHPGDSMN1; SMN2HTTKMT2A
SCHEMBL6921762 0.82 PTGDR2 (0.63) PKMPTGDR2HPGDSMN1; SMN2POLB
SCHEMBL1531280 0.82 PTGDR2 (0.63) PKMPTGDR2SMN1; SMN2POLBHTT
SCHEMBL2059437 0.81 PTGDR2 (0.47) TSHRHSD17B10PTGDR2HPGDSMN1; SMN2
SCHEMBL7513156 0.80 HTT (0.50) PKMHPGDERN1SMN1; SMN2POLB
SCHEMBL1326022 0.79 TDP1 (0.49) PKMTSHRHPGDERN1SMN1; SMN2
SCHEMBL12776981 0.79 PKM (0.48) PKMHSD17B10ERN1SMN1; SMN2HTT
SCHEMBL28010866 0.79 HTT (0.49) PKMHPGDERN1SMN1; SMN2HTT

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-8211900-B2 DHFR enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2012-07-03 US disclosed
US-8211900-B2 DHFR enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2012-07-03 US disclosed
US-8211900-B2 DHFR enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2012-07-03 US disclosed
US-20090118311-A1 DHFR Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-05-07 US disclosed
US-20090118311-A1 DHFR Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-05-07 US disclosed
US-20090118311-A1 DHFR Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-05-07 US disclosed
EP-2013189-A1 DHFR ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2009-01-14 EP disclosed
WO-2007132146-A1 DHFR ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2007-11-22 WO disclosed
WO-2007132146-A1 DHFR ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2007-11-22 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 (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-20090118311-A1 DHFR Enzyme Inhibitors DHFR, MTHFD1, ALDH7A1 KDM4E 1741/4885PKM 2867/4885ALOX15 1676/4885

“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.