SCHEMBL21202131

SCHEMBL21202131

CCc1cccc(C[n+]2ccc(-c3ccc(-c4cc[n+](Cc5ccccc5)cc4C)cc3)c(C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ BCHE P06276 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CHKA P35790 7/20 0.43
▸ LMNA P02545 3/20 0.42
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 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
SCHEMBL19601104 0.85 ALDH1A1 (0.58) ACHEALDH1A1KDM4ERAB9ACHKA
SCHEMBL21202118 0.81 ALDH1A1 (0.47) ACHEALDH1A1BCHEKDM4ERAB9A
SCHEMBL19601091 0.80 ALDH1A1 (0.55) ACHEALDH1A1KDM4ERAB9ACHKA
SCHEMBL21202108 0.78 ALDH1A1 (0.48) ACHEALDH1A1KDM4ERAB9ACHKA
SCHEMBL21202126 0.76 ALDH1A1 (0.39) ALDH1A1KDM4ERAB9ACHKALMNA
Bromide SCHEMBL26090335 0.74 ACHE (0.59) ACHEBCHECHKA
SCHEMBL21202107 0.74 POLQ (0.38) ACHEALDH1A1KDM4ERAB9ALMNA
SCHEMBL5307716 0.73 ALDH1A1 (0.53) ACHEALDH1A1BCHEKDM4ERAB9A
SCHEMBL19601095 0.73 ALDH1A1 (0.51) ALDH1A1KDM4ERAB9ACHKALMNA
Hydrochloric Acid SCHEMBL7307884 0.72 ALDH1A1 (0.56) ACHEALDH1A1BCHEKDM4ERAB9A

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 ACHE 426/4885ALDH1A1 1971/4885BCHE 2002/4885

“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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