SCHEMBL17694459

SCHEMBL17694459

CC(C)(C)C(=O)OCCCC#N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PRKCA P17252 2/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.34
CNR2 P34972 4/20 0.34
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
ALDH1A1 P00352 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL17694457 0.94 MEN1 (0.42) MEN1KMT2APRKCAPOLBGAA
SCHEMBL23323178 0.88 MEN1 (0.38) MEN1KMT2APRKCAPOLBGAA
SCHEMBL8247883 0.88 MEN1 (0.46) MEN1KMT2APRKCAPOLBGAA
SCHEMBL28586646 0.86 MEN1 (0.44) MEN1KMT2APRKCAPOLBGAA
SCHEMBL19116959 0.85 MEN1 (0.41) MEN1KMT2ATSHRCNR2
SCHEMBL17694510 0.85 MEN1 (0.41) MEN1KMT2ATSHRCNR2
SCHEMBL23200231 0.83 MEN1 (0.43) MEN1KMT2ATSHRCNR2
SCHEMBL23198625 0.80 MEN1 (0.45) MEN1KMT2ATSHRCNR2CYP4F2
SCHEMBL7989588 0.80 POLB (0.46) MEN1KMT2APRKCAPOLBGAA
SCHEMBL27819169 0.80 POLB (0.46) PRKCAPOLBGAANPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210101878-A1 Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2021-04-08 US disclosed
US-10882838-B2 Cannabinergic compounds and uses thereof NORTHEASTERN UNIVERSITY (US) 2021-01-05 US disclosed
US-20190185443-A1 Novel Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2019-06-20 US disclosed
US-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof NORTHEASTERN UNIVERSITY (US) 2016-04-21 US disclosed
US-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof NORTHEASTERN UNIVERSITY (US) 2016-04-21 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 (4 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-20190185443-A1 Novel Cannabinergic Compounds And Uses Thereof CNR2, CNR1, GPR18 MEN1 3692/4885KMT2A 4458/4885PRKCA 1380/4885
US-10882838-B2 Cannabinergic compounds and uses thereof CNR2, CNR1, GPR18 MEN1 3570/4885KMT2A 4425/4885PRKCA 1658/4885
US-20210101878-A1 Cannabinergic Compounds And Uses Thereof CNR2, CNR1, GPR18 MEN1 3570/4885KMT2A 4425/4885PRKCA 1658/4885
US-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof CNR2, CNR1, GPR18 MEN1 3692/4885KMT2A 4458/4885PRKCA 1380/4885

“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.