SCHEMBL21202121

SCHEMBL21202121

Cc1c[n+](C)ccc1-c1ccc(-c2cc[n+](-c3ccccc3-c3ccccc3)cc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 3/20 0.38
▸ SLC22A2 O15244 1/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ SLC22A3 O75751 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ RCE1 Q9Y256 1/20 0.32
▸ CYP2A6 P11509 1/20 0.31
▸ CYP2B6 P20813 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ APAF1 O14727 1/20 0.30
▸ IDO1 P14902 1/20 0.30

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
SCHEMBL19601135 0.88 ESR2 (0.36) SLC22A2SLC22A1SLC22A3SLC6A4CA12
SCHEMBL19607342 0.80 SLC22A2 (0.41) CHATSLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL19601082 0.74 ACHE (0.43) CA12CA1CA2CA9ESR2
SCHEMBL21202122 0.74 ACHE (0.40) CA12CA1CA2CA9PTGS2
SCHEMBL19607333 0.73 SLC6A4 (0.44) CHATSLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL10001703 0.71 CHAT (0.46) CHATSLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL19601083 0.69 ACHE (0.39) SLC22A2SLC22A1SLC22A3SLC6A4CA12
SCHEMBL19607346 0.69 CHAT (0.44) CHATSLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL19607241 0.69 ACHE (0.48) CA12CA1CA2CA9IDO1
SCHEMBL19601137 0.69 PTGS2 (0.40) SLC6A4PTGS2L3MBTL1ACHE

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-10364223-B2 Organic compound, electrochromic element, optical filter, lens unit, image pickup apparatus, and window member CANON KABUSHIKI KAISHA (JP) 2019-07-30 — — 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-10364223-B2 Organic compound, electrochromic element, optical filter, lens unit, image pickup apparatus, and window member EML4, AP2M1, AP2A2 CHAT 1169/4885SLC22A2 618/4885SLC22A1 799/4885

“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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