SCHEMBL4623730

SCHEMBL4623730

CC(OC(N)=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP19A1 P11511 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
GRM8 O00222 1/20 0.38
GRM4 Q14833 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 3/20 0.37
NPC1 O15118 1/20 0.37
ALOX5 P09917 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL10573663 0.84 TSHR (0.50) SMN1; SMN2L3MBTL1LMNAALDH1A1KMT2A
SCHEMBL513491 0.83 TSHR (0.49) CYP3A4L3MBTL1LMNAALDH1A1KMT2A
SCHEMBL11027189 0.80 CYP3A4 (0.38) SMN1; SMN2CYP3A4CYP19A1L3MBTL1LMNA
SCHEMBL11027636 0.80 KMT2A (0.40) SMN1; SMN2CYP3A4CYP19A1L3MBTL1LMNA
SCHEMBL406969 0.79 SMN1; SMN2 (0.46) SMN1; SMN2CYP3A4CYP19A1L3MBTL1LMNA
SCHEMBL10507286 0.77 ALOX5 (0.51) LMNAALDH1A1KMT2AMEN1TSHR
SCHEMBL28966334 0.76 HPGD (0.47) SMN1; SMN2L3MBTL1LMNAALDH1A1KMT2A
SCHEMBL28966332 0.76 HPGD (0.47) SMN1; SMN2L3MBTL1LMNAALDH1A1KMT2A
SCHEMBL11159565 0.74 ALDH1A1 (0.47) SMN1; SMN2L3MBTL1LMNAALDH1A1GRM8
SCHEMBL27764339 0.74 MAPT (0.48) SMN1; SMN2CYP3A4LMNAALDH1A1KMT2A

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 SMN1; SMN2 3075/4885CYP3A4 818/4885CYP19A1 2746/4885
US-20060264647-A1 Separation of tetrahydrocannabinols CNR2, CNR1, CBR1 SMN1; SMN2 3793/4885CYP3A4 89/4885CYP19A1 184/4885
US-11117852-B2 Isolation of pure cannabinoids from Cannabis CNR2, CNR1, FAAH SMN1; SMN2 3075/4885CYP3A4 818/4885CYP19A1 2746/4885

“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.