SCHEMBL19601086

SCHEMBL19601086

COc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(C)cc4C)cc3C)cc2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.36
▸ RAPGEF4 Q8WZA2 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALKBH3 Q96Q83 2/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAOB P27338 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32

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
SCHEMBL19607239 0.95 L3MBTL1 (0.36) FFAR4RAPGEF4ALDH1A1HPGDSMN1; SMN2
SCHEMBL19601113 0.90 CYP1A1 (0.35) FFAR4RAPGEF4ALDH1A1HPGDLMNA
SCHEMBL19601080 0.89 LMNA (0.31) ALDH1A1HPGDLMNASMN1; SMN2MAPT
SCHEMBL19607292 0.84 CYP1A1 (0.39) FFAR4ALDH1A1SMN1; SMN2L3MBTL1ACHE
SCHEMBL19601117 0.82 ACHE (0.37) ALDH1A1LMNASMN1; SMN2PTGS2L3MBTL1
SCHEMBL19601078 0.77 ALDH1A1 (0.31) ALDH1A1HPGDLMNASMN1; SMN2MAPT
SCHEMBL19601087 0.75 ACHE (0.44) ALDH1A1LMNASMN1; SMN2MAPTMAOB
SCHEMBL19607240 0.73 ACHE (0.44) ALDH1A1MAPTPTGS2ACHEMEN1
SCHEMBL19607241 0.71 ACHE (0.48) ACHE
SCHEMBL19601082 0.70 ACHE (0.43) ACHE

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-20170329195-A1 ORGANIC COMPOUND, ELECTROCHROMIC COMPOUND, AND ELECTROCHROMIC ELEMENT, OPTICAL FILTER, LENS UNIT, IMAGING DEVICE, AND WINDOW COMPONENT HAVING SAME CANON KABUSHIKI KAISHA (JP) 2017-11-16 — — 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-20170329195-A1 ORGANIC COMPOUND, ELECTROCHROMIC COMPOUND, AND ELECTROCHROMIC ELEMENT, OPTICAL FILTER, LENS UNIT, IMAGING DEVICE, AND WINDOW COMPONENT HAVING SAME KCNJ2, KCNH3, KCNN2 FFAR4 3357/4885RAPGEF4 1201/4885ALDH1A1 2072/4885

“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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