SCHEMBL22183458

SCHEMBL22183458

CCCC(=O)NC(CO)COC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.40
CNR1 P21554 3/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DNM1 Q05193 1/20 0.39
CERT1 Q9Y5P4 3/20 0.38
CTSD P07339 1/20 0.38
PLA2G2C Q5R387 2/20 0.37
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
CMA1 P23946 1/20 0.36

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
SCHEMBL20643697 0.89 DNM1 (0.47) CNR2CNR1DNM1CERT1PLA2G2C
SCHEMBL13002248 0.84 HDAC3 (0.48) CNR2CNR1HDAC3HDAC1HDAC2
SCHEMBL20668592 0.82 MEN1 (0.40) CNR2CNR1
SCHEMBL24744385 0.80 PARP1 (0.45) CNR1HDAC3HDAC1HDAC2HDAC8
SCHEMBL10064044 0.79 DNM1 (0.51) CNR2CNR1DNM1PLA2G2C
SCHEMBL26233842 0.79 TAS1R3 (0.32) CNR2CNR1
SCHEMBL1993819 0.76 TGFBR1 (0.38) PLA2G2C
SCHEMBL15903591 0.76 TGFBR1 (0.38) PLA2G2C
SCHEMBL15780011 0.76 PLA2G2C (0.43) PLA2G2C
SCHEMBL5548449 0.76 TGFBR1 (0.38) PLA2G2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200207874-A1 POLYPEPTIDE-POLYNUCLEOTIDE-COMPLEX AND ITS USE IN TARGETED EFFECTOR MOIETY DELIVERY HOFFMANN-LA ROCHE INC. (US) 2020-07-02 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 (1 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-20200207874-A1 POLYPEPTIDE-POLYNUCLEOTIDE-COMPLEX AND ITS USE IN TARGETED EFFECTOR MOIETY DELIVERY PNKP, RNASE1, DCLRE1B CNR2 4827/4885CNR1 4808/4885HDAC3 4043/4885

“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.