SCHEMBL4623724

SCHEMBL4623724

CCOC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
NPC1 O15118 2/20 0.50
PKM P14618 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HSP90AA1 P07900 1/20 0.50
HPGD P15428 1/20 0.50
CCR6 P51684 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
AKR1B1 P15121 1/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL11858419 0.92 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL10573661 0.85 MEN1 (0.69) ALDH1A1KMT2AMEN1NPC1PKM
SCHEMBL11574390 0.84 KMT2A (0.63) ALDH1A1KMT2AMEN1NPC1PKM
SCHEMBL2071222 0.84 KMT2A (0.63) ALDH1A1KMT2AMEN1NPC1PKM
SCHEMBL989364 0.83 ALDH1A1 (0.67) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL7918663 0.81 MAPT (0.46) ALDH1A1KMT2AMEN1NPC1NPSR1
SCHEMBL11767621 0.80 KDM4E (0.70) ALDH1A1KDM4EKMT2AMEN1NPC1
Acetic Acid SCHEMBL8132820 0.80 MAPT (0.59) ALDH1A1KMT2AMEN1NPC1PKM
SCHEMBL10305757 0.77 SIRT2 (0.47) KMT2AMEN1NPC1MAPTLMNA
SCHEMBL9652246 0.77 ALOX5 (0.54) ALDH1A1KMT2AMEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117852-B2 Isolation of pure cannabinoids from Cannabis UNIVERSITY OF MISSISSIPPI (US) 2021-09-14 US disclosed
US-20200039908-A1 Isolation of pure cannabinoids from Cannabis UNIVERSITY OF MISSISSIPPI 2020-02-06 US disclosed
EP-3599831-A1 ISOLATION OF PURE CANNABINOIDS FROM CANNABIS University Of Mississippi (US) 2020-02-05 EP disclosed
WO-2018187500-A1 ISOLATION OF PURE CANNABINOIDS FROM CANNABIS UNIVERSITY OF MISSISSIPPI (US) 2018-10-11 WO disclosed
EP-1133688-A4 METHOD OF PREPARING DELTA-9-TETRAHYDROCANNABINOL UNIV MISSISSIPPI (US) 2008-05-07 EP disclosed
US-7321047-B2 Carbamoylating a tetrahydrocannabinol with an aryl or arylmethyl isocyanate or isothiocyanate, forming a solution of the (thio)carbamate in an organic solvent, separating the isomer of interest by crystallization, and hydrolyzing it to form the desired tetrahydrocannabinol isomer. ALPHORA RESEARCH INC. (CA) 2008-01-22 US disclosed
US-20060264647-A1 Separation of tetrahydrocannabinols SANDOZ INC. 2006-11-23 US disclosed
EP-1472514-A4 METHOD OF PREPARING DELTA-9 TETRAHYDROCANNABINOL UNIV MISSISSIPPI (US) 2006-01-04 EP disclosed
EP-1472514-A2 METHOD OF PREPARING DELTA-9 TETRAHYDROCANNABINOL University of Mississippi (US) 2004-11-03 EP disclosed
US-6730519-B2 ISOLATION TETRAHYDROCANNIBINOL FROM PLANT EXTRACT; OBTAIN PLANT SAMPLE, CHELATE TETRAHYDROCANNIBINOL TO SOLID SUPPORT, ELUTE AND RECOVER TETRAHYDROCARBANNIOL FROM SUPPORT THE UNIVERSITY OF MISSISSIPPI 2004-05-04 US disclosed
WO-2003061563-A2 METHOD OF PREPARING DELTA-9 TETRAHYDROCANNABINOL UNIVERSITY OF MISSISSIPPI (US) 2003-07-31 WO disclosed
US-20020086438-A1 Method of preparing delta-9-tetrahydrocannabinol UNIVERSITY OF MISSISSIPPI, THE 2002-07-04 US disclosed
US-20020039795-A1 Recovering preferential particle from plants; obtain plant, generate extract, remove solvent from extract, expose extract to flash distillation, recover preferential plant particles ELSOHLY ET AL 2002-04-04 US disclosed
US-6365416-B1 EFFICIENT AND ECONOMIC LARGE SCALE PRODUCTION BY SOLVENT EXTRACTION OF CANNABIS WITH NONPOLAR SOLVENT THEN CHROMATOGRAPHY AND VACUUM DISTILATION THE UNIVERSITY OF MISSISSIPPI 2002-04-02 US disclosed
EP-1133688-A1 METHOD OF PREPARING DELTA-9-TETRAHYDROCANNABINOL The university of Mississippi (US) 2001-09-19 EP disclosed
WO-2000025127-A1 METHOD OF PREPARING DELTA-9-TETRAHYDROCANNABINOL THE UNIVERSITY OF MISSISSIPPI (US) 2000-05-04 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-20200039908-A1 Isolation of pure cannabinoids from Cannabis CNR2, CNR1, FAAH ALDH1A1 4671/4885KDM4E 876/4885KMT2A 2821/4885
US-20060264647-A1 Separation of tetrahydrocannabinols CNR2, CNR1, CBR1 ALDH1A1 2232/4885KDM4E 1307/4885KMT2A 1788/4885
US-11117852-B2 Isolation of pure cannabinoids from Cannabis CNR2, CNR1, FAAH ALDH1A1 4671/4885KDM4E 876/4885KMT2A 2821/4885

“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.