SCHEMBL17645258

SCHEMBL17645258

O=C(CCCC=CCC=CCC=CCC=CCCCCCO[N+](=O)[O-])NCCO

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.60
CNR2 P34972 4/20 0.60
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 2/20 0.60
BLM P54132 2/20 0.60
KMT2A Q03164 2/20 0.60
TRPV1 Q8NER1 2/20 0.60
TRPM8 Q7Z2W7 1/20 0.60
FAAH O00519 1/20 0.60
KCNK3 O14649 1/20 0.60
HPGD P15428 2/20 0.59
MAPT P10636 1/20 0.59
ALOX12 P18054 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL17645257 1.00 CNR1 (0.60) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL17645192 0.83 CNR2 (0.54) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL17645193 0.83 CNR2 (0.54) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL13396780 0.82 CNR1 (0.43) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL29927023 0.81 CNR1 (0.77) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL2875889 0.80 ALDH1A1 (0.53) ALDH1A1MEN1BLMKMT2AHPGD
SCHEMBL17645154 0.79 MEN1 (0.61) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL17645156 0.79 MEN1 (0.61) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL14700549 0.77 CNR1 (0.97) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL4539275 0.77 CNR1 (0.97) CNR1CNR2ALDH1A1MEN1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053444-B2 Cannabinergic nitrate esters and related analogs UNIVERSITY OF CONNECTICUT (US) 2018-08-21 US disclosed
US-20170001980-A9 Novel Cannabinergic Nitrate Esters and Related Analogs UNIVERSITY OF CONNECTICUT 2017-01-05 US disclosed
US-20160096822-A1 Novel Cannabinergic Nitrate Esters and Related Analogs MAKRIYANNIS ALEXANDROS (US) 2016-04-07 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-10053444-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, NOS3 CNR1 2/4885CNR2 1/4885ALDH1A1 1243/4885
US-20160096822-A1 Novel Cannabinergic Nitrate Esters and Related Analogs CNR2, CNR1, CHRNB4 CNR1 2/4885CNR2 1/4885ALDH1A1 1306/4885
US-20170001980-A9 Novel Cannabinergic Nitrate Esters and Related Analogs CNR2, CNR1, CHRNB4 CNR1 2/4885CNR2 1/4885ALDH1A1 1306/4885

“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.