SCHEMBL23228802

SCHEMBL23228802

C=CCC(CC)(CC)c1ccc(Oc2ncc(C(=O)N(C)C)cc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ PTGER4 P35408 2/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ EGFR P00533 3/20 0.33
▸ LIPE Q05469 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ AOC3 Q16853 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ AURKA O14965 1/20 0.31
▸ LTA4H P09960 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ BTK Q06187 1/20 0.31

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
SCHEMBL21656657 0.89 PTGER4 (0.35) SMN1; SMN2ALDH1A1HPGDSCN9APTGER4
SCHEMBL21656878 0.89 PTGER4 (0.41) SMN1; SMN2ALDH1A1PTGER4EGFRLMNA
SCHEMBL23228813 0.88 PTGER4 (0.35) SMN1; SMN2PTGER4EGFRLMNAMAOB
SCHEMBL21656881 0.87 LMNA (0.40) SMN1; SMN2ALDH1A1HPGDPTGER4EGFR
SCHEMBL23228824 0.86 HPGD (0.38) SMN1; SMN2ALDH1A1HPGDSCN9APTGER4
SCHEMBL23228815 0.86 HDAC6 (0.40) PTGER4
SCHEMBL21656921 0.86 MAOB (0.41) ALDH1A1PTGER4LMNAMAOBF10
SCHEMBL21628414 0.83 NPC1 (0.45) SMN1; SMN2ALDH1A1HPGDPTGER4SLC6A2
SCHEMBL23228809 0.83 SLC6A2 (0.46) SMN1; SMN2ALDH1A1HPGDSLC6A2SLC6A4
SCHEMBL23228796 0.82 LMNA (0.42) SMN1; SMN2ALDH1A1HPGDSCN9ALIPE

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-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 — — 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-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SMN1; SMN2 796/4885ALDH1A1 717/4885HPGD 2579/4885

“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.

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