SCHEMBL19601117

SCHEMBL19601117

COc1c[n+](-c2ccc(C)cc2C)ccc1-c1cc[n+](-c2ccc(C)cc2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 7/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ BCHE P06276 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ MCOLN3 Q8TDD5 1/20 0.32
▸ PTGS2 P35354 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
SCHEMBL19601113 0.94 CYP1A1 (0.35) ACHESMN1; SMN2MAPK1LMNAPKM
SCHEMBL19607292 0.87 CYP1A1 (0.39) ACHESMN1; SMN2PKMBCHEL3MBTL1
SCHEMBL19601080 0.83 LMNA (0.31) SMN1; SMN2LMNAHTTALDH1A1KMT2A
SCHEMBL19601105 0.82 ACHE (0.55) ACHEBCHEALDH1A1IDO1
SCHEMBL19601086 0.82 FFAR4 (0.36) ACHESMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL19601120 0.79 ACHE (0.54) ACHEBCHEALDH1A1IDO1
SCHEMBL19607289 0.76 ACHE (0.43) ACHEBCHEIDO1
SCHEMBL19601115 0.76 ACHE (0.51) ACHEBCHEALDH1A1
SCHEMBL19607239 0.75 L3MBTL1 (0.36) ACHESMN1; SMN2PKML3MBTL1ALDH1A1
SCHEMBL19601116 0.74 ACHE (0.58) ACHESMN1; SMN2BCHEALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10310350-B2 Organic compound, electrochromic compound, and electrochromic element, optical filter, lens unit, imaging device, and window component having same CANON KABUSHIKI KAISHA (JP) 2019-06-04 — — US disclosed
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
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 (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-10310350-B2 Organic compound, electrochromic compound, and electrochromic element, optical filter, lens unit, imaging device, and window component having same KCNJ2, KCNH3, KCNN2 ACHE 416/4885SMN1; SMN2 4088/4885MAPK1 1414/4885
US-20170329195-A1 ORGANIC COMPOUND, ELECTROCHROMIC COMPOUND, AND ELECTROCHROMIC ELEMENT, OPTICAL FILTER, LENS UNIT, IMAGING DEVICE, AND WINDOW COMPONENT HAVING SAME KCNJ2, KCNH3, KCNN2 ACHE 416/4885SMN1; SMN2 4088/4885MAPK1 1414/4885

“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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