SCHEMBL23465663

SCHEMBL23465663

O=C(NCCCCl)c1c(Cl)ccc(CNO)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
POLB P06746 3/20 0.35
HPGD P15428 3/20 0.35
HDAC1 Q13547 1/20 0.34
KMT2A Q03164 4/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
JAK2 O60674 1/20 0.33
ALDH2 P05091 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL23465664 0.84 SLC6A2 (0.42) POLBHPGDKMT2AHTTALDH1A1
SCHEMBL23466035 0.81 PRKCZ (0.40) POLBHPGDHDAC1KMT2AALDH1A1
SCHEMBL23465654 0.79 MLYCD (0.39) POLBHDAC1ALDH2
SCHEMBL20051092 0.78 PTGS2 (0.43) PTGS2POLBHPGDHDAC1KMT2A
SCHEMBL30739944 0.78 PTGS2 (0.43) PTGS2POLBHPGDHDAC1KMT2A
SCHEMBL23465660 0.78 SMN1; SMN2 (0.40) PTGS2HPGDHDAC1ALDH1A1ALDH2
SCHEMBL28316735 0.74 ALDH1A1 (0.48) PTGS2POLBHPGDKMT2AHTT
SCHEMBL23466038 0.74 PTGES (0.35) HDAC1KMT2AALDH2MEN1
SCHEMBL23465267 0.73 GAA (0.44) PTGS2POLBHPGDKMT2AALDH1A1
SCHEMBL23465266 0.71 RAB9A (0.43) POLBKMT2AHTTJAK2MEN1

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-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-06-03 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-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD PTGS2 606/4885POLB 3630/4885HPGD 997/4885

“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.