SCHEMBL14975215

SCHEMBL14975215

CC1(OC(=O)Oc2ccc([N+](=O)[O-])cc2)CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.48
▸ HTR2A P28223 1/20 0.46
▸ BCL9 O00512 1/20 0.46
▸ CTNNB1 P35222 1/20 0.46
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ PHGDH O43175 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ MAPT P10636 1/20 0.40

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
SCHEMBL287764 0.90 GAA (0.54) GAAHTR2ABCL9CTNNB1ALDH1A1
SCHEMBL288509 0.87 GAA (0.51) GAAHTR2ABCL9CTNNB1POLB
SCHEMBL3373334 0.87 GAA (0.51) GAAHTR2ABCL9CTNNB1POLB
SCHEMBL15232712 0.86 GAA (0.50) GAAHTR2ABCL9CTNNB1ALDH1A1
SCHEMBL14974562 0.86 GAA (0.50) GAAHTR2ABCL9CTNNB1POLB
SCHEMBL29880603 0.78 ALDH1A1 (0.48) GAAHTR2ABCL9CTNNB1ALDH1A1
SCHEMBL24073182 0.77 GAA (0.53) GAAHTR2ABCL9CTNNB1ALDH1A1
SCHEMBL288139 0.77 BCL9 (0.54) GAAHTR2ABCL9CTNNB1ALDH1A1
SCHEMBL26374 0.75 GAA (0.65) GAAHTR2ABCL9CTNNB1ALDH1A1
Dioxane SCHEMBL8029153 0.75 GAA (0.53) GAABCL9CTNNB1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782567-B1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) UNIV CALIFORNIA (US) 2017-03-22 — — EP disclosed
US-20160235707-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) FOND ST ITALIANO TECNOLOGIA (IT) 2016-08-18 — — US disclosed
US-9353075-B2 Disubstituted beta-lactones as inhibitors of N-acylethanolamine acid amidase (NAAA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-31 — — US disclosed
EP-2782567-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) The Regents of The University of California (US) 2014-10-01 — — EP disclosed
US-20130281490-A1 Disubstituted Beta-lactones as Inhibitors of N-Acylethanolamine Acid Amidase (NAAA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-10-24 — — US disclosed
WO-2013077406-A1 AROMATIC AMINE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT 出光興産株式会社 (JP) 2013-05-30 — — WO disclosed
WO-2013077385-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME 出光興産株式会社 (JP) 2013-05-30 — — WO disclosed
WO-2013078430-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 — — 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-20130281490-A1 Disubstituted Beta-lactones as Inhibitors of N-Acylethanolamine Acid Amidase (NAAA) NAAA, FAAH, FAAH2 GAA 246/4885HTR2A 768/4885BCL9 3454/4885
US-20160235707-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) NAAA, FAAH, FAAH2 GAA 246/4885HTR2A 768/4885BCL9 3454/4885

“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.

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