SCHEMBL19601129

SCHEMBL19601129

COc1c[n+](Cc2ccc(C(=O)CO)cc2)ccc1-c1cc[n+](Cc2ccc(C(=O)CO)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 8/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL19607399 0.88 ACHE (0.48) ACHEPKM
SCHEMBL19601102 0.83 CHKA (0.36) ACHERAB9ALMNAHTT
SCHEMBL19601127 0.81 KDM4E (0.49) ACHERAB9A
SCHEMBL19607398 0.81 CHKA (0.38) ACHERAB9A
SCHEMBL19601123 0.80 ACHE (0.45) ACHE
SCHEMBL19601124 0.80 ALDH1A1 (0.50) ACHERAB9ALMNAHTT
SCHEMBL19601130 0.80 CHKA (0.44) ACHE
SCHEMBL19601121 0.75 ALDH1A1 (0.48) ACHERAB9ALMNAHTT
SCHEMBL19607242 0.73 PKM (0.49) ACHENPC1RAB9ALMNAPKM
SCHEMBL19888149 0.72 PKM (0.48) ACHENPC1RAB9APKM

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 ACHE 416/4885NPC1 2988/4885RAB9A 2741/4885

“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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