SCHEMBL10019210

SCHEMBL10019210

COc1cc(OC(=O)C(C)C)c([N+](=O)[O-])cc1OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CYP3A4 P08684 3/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
PRKDC P78527 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FGFR1 P11362 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL20305871 0.90 LMNA (0.46) POLBCYP3A4NPC1ALDH1A1MAPT
SCHEMBL7158694 0.82 TNFSF11 (0.56) POLBCYP3A4NPC1ALDH1A1KDM4E
SCHEMBL27468061 0.81 VCP (0.54) POLBCYP3A4NPC1ALDH1A1KDM4E
SCHEMBL2042498 0.81 ALDH1A1 (0.50) POLBCYP3A4NPC1ALDH1A1KDM4E
SCHEMBL3462389 0.81 ALDH1A1 (0.50) POLBCYP3A4NPC1ALDH1A1KDM4E
SCHEMBL30661876 0.81 ALDH1A1 (0.50) POLBCYP3A4NPC1ALDH1A1KDM4E
SCHEMBL2087809 0.79 ALDH1A1 (0.63) POLBCYP3A4NPC1ALDH1A1KDM4E
SCHEMBL14733954 0.79 NPC1 (0.53) POLBCYP3A4NPC1ALDH1A1KDM4E
SCHEMBL29082090 0.78 ALDH1A1 (0.47) POLBCYP3A4NPC1ALDH1A1KDM4E
SCHEMBL27512814 0.78 ALDH1A1 (0.47) POLBCYP3A4NPC1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005732-B2 Potent non-urea inhibitors of soluble epoxide hydrolase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-06-26 US disclosed
US-10005732-B2 Potent non-urea inhibitors of soluble epoxide hydrolase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-06-26 US disclosed
US-9175285-B2 Potent non-urea inhibitors of soluble epdxide hydrolase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-11-03 US disclosed
US-20140349368-A1 POTENT NON-UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-11-27 US disclosed
US-8653273-B2 Potent non-urea inhibitors of soluble epoxide hydrolase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-02-18 US disclosed
US-20120029022-A1 Potent Non-Urea Inhibitors Of Soluble Epoxide Hydrolase THE TRUSTEES OF COLUMBIA UNIVESITY IN THE CITY OF NEW YORK (US) 2012-02-02 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 (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-20140349368-A1 POTENT NON-UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, ECE1 POLB 3197/4885CYP3A4 764/4885NPC1 2229/4885
US-20120029022-A1 Potent Non-Urea Inhibitors Of Soluble Epoxide Hydrolase EPHX1, EPHX2, ECE1 POLB 3197/4885CYP3A4 764/4885NPC1 2229/4885
US-10005732-B2 Potent non-urea inhibitors of soluble epoxide hydrolase EPHX1, EPHX2, ECE1 POLB 3197/4885CYP3A4 764/4885NPC1 2229/4885

“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.