SCHEMBL21137683

SCHEMBL21137683

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 3/20 0.36
NAAA Q02083 1/20 0.32
MLYCD O95822 1/20 0.32
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 2/20 0.31
EPHX1 P07099 1/20 0.31
CYP3A4 P08684 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
SCHEMBL12390085 0.87 MEN1 (0.38) MEN1KMT2ATSHRDPP4ALDH1A1
SCHEMBL10012603 0.82 TSHR (0.33) MEN1KMT2ATSHR
SCHEMBL10012641 0.82 TSHR (0.33) MEN1KMT2ATSHR
SCHEMBL10012604 0.82 TSHR (0.38) MEN1KMT2ATSHR
SCHEMBL8421539 0.82 NAAA (0.44) TSHRNAAAALDH1A1EPHX1CYP3A4
SCHEMBL27982814 0.82 NAAA (0.44) TSHRNAAAALDH1A1EPHX1CYP3A4
SCHEMBL23768306 0.82 USP2 (0.41) MEN1KMT2ANAAAALDH1A1CYP3A4
SCHEMBL19881228 0.81 NAAA (0.36) MEN1KMT2ATSHRNAAAEPHX1
SCHEMBL15506127 0.81 ALDH1A1 (0.52) MEN1KMT2ATSHRALDH1A1CYP3A4
SCHEMBL19117261 0.81 MEN1 (0.37) MEN1KMT2ATSHRDPP4ALDH1A1

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.