SCHEMBL19601135

SCHEMBL19601135

Cc1c[n+](-c2ccccc2-c2ccccc2)ccc1-c1cc[n+](-c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.36
▸ SLC22A2 O15244 1/20 0.34
▸ SLC22A1 O15245 1/20 0.34
▸ SLC22A3 O75751 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ PPP1CA P62136 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ ENPP3 O14638 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
SCHEMBL21202121 0.88 CHAT (0.38) ESR2SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL19601082 0.86 ACHE (0.43) ESR2RAB9AIDO1NPC1CA12
SCHEMBL19607241 0.80 ACHE (0.48) IDO1CA12CA1CA2CA9
SCHEMBL19601137 0.79 PTGS2 (0.40) SLC6A4L3MBTL1ACHEPTGS2LMNA
SCHEMBL19607342 0.79 SLC22A2 (0.41) SLC22A2SLC22A1SLC22A3SLC6A4RAB9A
SCHEMBL19607237 0.78 TRPA1 (0.34) ACHE
SCHEMBL19601083 0.77 ACHE (0.39) ESR2SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL19601088 0.76 ACHE (0.54) IDO1CA12CA1CA2CA9
SCHEMBL28603462 0.76 ALDH1A1 (0.41) SLC22A2SLC22A1SLC22A3SLC6A4CYP2A6
SCHEMBL21202122 0.75 ACHE (0.40) ESR2CYP2A6CYP2B6RAB9ANPC1

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 ESR2 377/4885SLC22A2 693/4885SLC22A1 760/4885
US-20170329195-A1 ORGANIC COMPOUND, ELECTROCHROMIC COMPOUND, AND ELECTROCHROMIC ELEMENT, OPTICAL FILTER, LENS UNIT, IMAGING DEVICE, AND WINDOW COMPONENT HAVING SAME KCNJ2, KCNH3, KCNN2 ESR2 377/4885SLC22A2 693/4885SLC22A1 760/4885

“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.

Send feedback