SCHEMBL19607289

SCHEMBL19607289

COc1c[n+](-c2ccccc2OC)ccc1-c1cc[n+](-c2ccccc2OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 12/20 0.43
▸ BCHE P06276 7/20 0.43
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ PTPRC P08575 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ APP P05067 1/20 0.36
▸ XDH P47989 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ FABP3 P05413 1/20 0.33
▸ IDO1 P14902 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
SCHEMBL19601120 0.93 ACHE (0.54) ACHEBCHECA12CA1CA2
SCHEMBL19601105 0.88 ACHE (0.55) ACHEBCHECA12CA1CA2
SCHEMBL19607241 0.88 ACHE (0.48) ACHEBCHECA12CA1CA2
SCHEMBL19601088 0.84 ACHE (0.54) ACHEBCHECA12CA1CA2
SCHEMBL19601106 0.79 ACHE (0.51) ACHEBCHECA12CA1CA2
SCHEMBL19601117 0.76 ACHE (0.37) ACHEBCHEIDO1
SCHEMBL4207957 0.75 CA1 (0.50) ACHEBCHECA12CA1CA2
SCHEMBL19607292 0.75 CYP1A1 (0.39) ACHEBCHECA12CA1CA2
Hydrochloric Acid SCHEMBL6702520 0.73 CA1 (0.48) ACHEBCHECA12CA1CA2
SCHEMBL17996981 0.73 ACHE (0.39) ACHEBCHECA12CA1CA2

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 2 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

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 416/4885BCHE 2668/4885CA12 496/4885
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 416/4885BCHE 2668/4885CA12 496/4885

“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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