SCHEMBL17645192

SCHEMBL17645192

C#CCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.54
CNR1 P21554 6/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
FAAH O00519 3/20 0.43
ALDH1A1 P00352 3/20 0.43
BLM P54132 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
PMP22 Q01453 1/20 0.43
GPR18 Q14330 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL17645193 1.00 CNR2 (0.54) CNR2CNR1MEN1KMT2AFAAH
SCHEMBL17645258 0.83 CNR1 (0.60) CNR2CNR1MEN1KMT2AFAAH
SCHEMBL17645257 0.83 CNR1 (0.60) CNR2CNR1MEN1KMT2AFAAH
SCHEMBL2875889 0.78 ALDH1A1 (0.53) MEN1KMT2AALDH1A1BLMMAPT
SCHEMBL5379294 0.78 CNR2 (0.81) CNR2CNR1MEN1KMT2AFAAH
SCHEMBL17645156 0.77 MEN1 (0.61) CNR2CNR1MEN1KMT2AFAAH
SCHEMBL17645154 0.77 MEN1 (0.61) CNR2CNR1MEN1KMT2AFAAH
SCHEMBL10226099 0.77 CNR2 (0.74) CNR2CNR1MEN1KMT2AFAAH
SCHEMBL2873060 0.75 ALDH1A1 (0.55) MEN1KMT2AALDH1A1BLMMAPT
SCHEMBL29431561 0.73 FABP3 (0.50) CNR2CNR1ALDH1A1TRPV1

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 CNR2 1/4885CNR1 2/4885MEN1 3813/4885
US-20160096822-A1 Novel Cannabinergic Nitrate Esters and Related Analogs CNR2, CNR1, CHRNB4 CNR2 1/4885CNR1 2/4885MEN1 4106/4885
US-20170001980-A9 Novel Cannabinergic Nitrate Esters and Related Analogs CNR2, CNR1, CHRNB4 CNR2 1/4885CNR1 2/4885MEN1 4106/4885

“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.