SCHEMBL22185075

SCHEMBL22185075

CC(C)(C(=O)NCCCCO)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
CNR2 P34972 2/20 0.47
CNR1 P21554 1/20 0.47
MMP8 P22894 2/20 0.45
TACR3 P29371 2/20 0.45
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 2/20 0.43
CYP2C19 P33261 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42

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
SCHEMBL22145794 0.83 POLB (0.47) POLBCNR2CNR1MMP8TACR3
SCHEMBL11161625 0.82 POLB (0.48) POLBCNR2CNR1MMP8TACR3
SCHEMBL11154872 0.82 POLB (0.48) POLBCNR2CNR1MMP8TACR3
SCHEMBL20077094 0.81 LMNA (0.53) POLBCNR2CNR1MMP8MAPT
SCHEMBL14236757 0.79 POLB (0.39) POLBCNR2CNR1MMP8MAPT
SCHEMBL3787306 0.79 ESRRG (0.43) POLBMMP8MAPTHIF1ACYP2C19
SCHEMBL11159885 0.78 POLB (0.48) POLBCNR2CNR1MMP8TACR3
SCHEMBL13526147 0.78 DRD2 (0.46) POLBMMP8MAPTKMT2ADRD2
SCHEMBL20077095 0.78 MAPT (0.52) POLBCNR2CNR1TACR3MAPT
SCHEMBL3787301 0.77 EPHX2 (0.47) POLBMAPTKMT2AHDAC3HDAC4

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-10974232-B2 Catalyst, method for forming amide bond, and method for producing amide compound MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2021-04-13 US disclosed
US-20200206724-A1 Catalyst, Method for Forming Amide Bond, and Method for Producing Amide Compound MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 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 (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-20200206724-A1 Catalyst, Method for Forming Amide Bond, and Method for Producing Amide Compound ASNS, NAAA, PYM1 POLB 1442/4885CNR2 1103/4885CNR1 798/4885
US-10974232-B2 Catalyst, method for forming amide bond, and method for producing amide compound ASNS, NAAA, PYM1 POLB 1442/4885CNR2 1103/4885CNR1 798/4885

“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.