SCHEMBL21384553

SCHEMBL21384553

CCCCCCCCCCOC(=O)CCCl

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.64
DGKA P23743 1/20 0.64
HTR2C P28335 1/20 0.61
RAD52 P43351 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
FAAH O00519 1/20 0.53
DNM1 Q05193 1/20 0.53
EPHX1 P07099 1/20 0.50
TSHR P16473 3/20 0.48
PAM P19021 2/20 0.48
HCAR2 Q8TDS4 1/20 0.46

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
SCHEMBL11788847 1.00 NAAA (0.64) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL21811496 1.00 NAAA (0.64) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL11373406 1.00 NAAA (0.64) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL11758543 1.00 NAAA (0.64) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL21811933 1.00 NAAA (0.64) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL11785852 1.00 NAAA (0.64) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL6939870 1.00 NAAA (0.64) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL11786673 1.00 NAAA (0.64) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL21811530 0.98 NAAA (0.61) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL1365902 0.92 DGKA (0.57) NAAADGKAHTR2CRAD52NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117736082-A Preparation method of phenoxy carboxylic acid herbicide 山东润博生物科技有限公司 2024-03-22 CN disclosed
CN-117466730-A Preparation method of phenoxy carboxylate herbicide 山东润博生物科技有限公司 2024-01-30 CN disclosed
US-11040933-B2 Preparation method of phenoxycarboxylic acid herbicides SHANDONG RAINBOW BIOTECH CO., LTD. (CN) 2021-06-22 US disclosed
US-20210017113-A1 PREPARATION METHOD OF PHENOXYCARBOXYLIC ACID HERBICIDES SHANDONG RAINBOW BIOTECH CO., LTD. (CN) 2021-01-21 US disclosed
WO-2019179267-A1 PREPARATION METHOD OF PHENOXYCARBOXYLIC ACID HERBICIDES 山东润博生物科技有限公司 2019-09-26 WO disclosed
WO-2019179265-A1 METHOD FOR PREPARING PHENOXY CARBOXYLIC ACID HERBICIDE 山东润博生物科技有限公司 2019-09-26 WO 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-11040933-B2 Preparation method of phenoxycarboxylic acid herbicides DDT, MCCC2, DDC NAAA 705/4885DGKA 3833/4885HTR2C 186/4885
US-20210017113-A1 PREPARATION METHOD OF PHENOXYCARBOXYLIC ACID HERBICIDES DDT, MCCC2, DDC NAAA 705/4885DGKA 3833/4885HTR2C 186/4885

“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.