SCHEMBL21202108

SCHEMBL21202108

Cc1cnccc1-c1ccc(-c2cc[n+](Cc3ccccc3)cc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ GRM4 Q14833 1/20 0.45
▸ LMNA P02545 3/20 0.43
▸ CHKA P35790 5/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ AKT1 P31749 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ S1PR1 P21453 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ ACHE P22303 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ APLNR P35414 4/20 0.35
▸ FFAR1 O14842 1/20 0.35

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 0.83 ALDH1A1 (0.58) ALDH1A1KDM4ERAB9ALMNACHKA
SCHEMBL21202131 0.78 ACHE (0.47) ALDH1A1KDM4ERAB9ALMNACHKA
SCHEMBL21202118 0.78 ALDH1A1 (0.47) ALDH1A1KDM4ERAB9ALMNACHKA
SCHEMBL19601091 0.77 ALDH1A1 (0.55) ALDH1A1KDM4ERAB9ALMNACHKA
SCHEMBL9169968 0.74 GRM4 (0.60) GRM4AKT1S1PR1S1PR3
SCHEMBL31258556 0.74 GRM4 (0.60) GRM4AKT1S1PR1S1PR3
SCHEMBL21202117 0.74 GRM4 (0.40) GRM4AKT1PIK3CAMTORS1PR1
Hydrochloric Acid SCHEMBL7307884 0.73 ALDH1A1 (0.56) ALDH1A1KDM4ERAB9ALMNACHKA
SCHEMBL21202128 0.72 GRM4 (0.51) GRM4AKT1S1PR1S1PR3MAPK1
SCHEMBL5307716 0.71 ALDH1A1 (0.53) ALDH1A1KDM4ERAB9ALMNACHKA

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 ALDH1A1 1971/4885KDM4E 3565/4885RAB9A 3072/4885

“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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