SCHEMBL21137739

SCHEMBL21137739

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR2 P34972 4/20 0.36
CTSS P25774 3/20 0.32
CTSK P43235 3/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
TSHR P16473 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
SCHEMBL23200231 0.95 MEN1 (0.43) MEN1KMT2ACNR2CTSSCTSK
SCHEMBL17694457 0.84 MEN1 (0.42) MEN1KMT2ACNR2TSHR
SCHEMBL23200294 0.81 ALDH3A1 (0.35)
SCHEMBL17694505 0.81 MEN1 (0.40) MEN1KMT2ACNR2TSHR
SCHEMBL28683256 0.81 MEN1 (0.36) MEN1KMT2ACNR2CTSSCTSK
SCHEMBL23200206 0.80 MEN1 (0.44) MEN1KMT2ACNR2CTSSCTSK
SCHEMBL10033529 0.79 MEN1 (0.42) MEN1KMT2ACNR2TSHR
SCHEMBL23200650 0.79
SCHEMBL18722879 0.79 NAAA (0.50) TSHR
SCHEMBL3735208 0.79 CYP4F2 (0.43) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 4458/4885CNR2 1/4885
US-10882838-B2 Cannabinergic compounds and uses thereof CNR2, CNR1, GPR18 MEN1 3570/4885KMT2A 4425/4885CNR2 1/4885

“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.