SCHEMBL21138599

SCHEMBL21138599

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
NAAA Q02083 1/20 0.32
HPGD P15428 1/20 0.31
CNR2 P34972 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
EPHX1 P07099 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
SCHEMBL17617112 0.85 ALDH1A1 (0.47) TSHRALDH1A1ATMNAAAHPGD
SCHEMBL20853869 0.84 NAAA (0.46) TSHRALDH1A1ATMNAAACA1
SCHEMBL20853964 0.82 NAAA (0.48) TSHRALDH1A1NAAAEPHX1
SCHEMBL20853847 0.82 NAAA (0.48) TSHRALDH1A1NAAAEPHX1
SCHEMBL20853967 0.82 NAAA (0.48) TSHRALDH1A1NAAAEPHX1
SCHEMBL20853934 0.82 NAAA (0.48) TSHRALDH1A1NAAAEPHX1
SCHEMBL20853904 0.82 NAAA (0.48) TSHRALDH1A1NAAAEPHX1
SCHEMBL20853939 0.82 NAAA (0.48) TSHRALDH1A1NAAAEPHX1
SCHEMBL19116613 0.80 MEN1 (0.42) MEN1KMT2ATSHRALDH1A1ATM
SCHEMBL24961548 0.80 MEN1 (0.46) MEN1KMT2ATSHRATMNAAA

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 4458/4885TSHR 1642/4885
US-10882838-B2 Cannabinergic compounds and uses thereof CNR2, CNR1, GPR18 MEN1 3570/4885KMT2A 4425/4885TSHR 1550/4885

“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.