SCHEMBL18775292

SCHEMBL18775292

Cc1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccc(C(F)(F)F)cc4)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ CHKA P35790 6/20 0.51
▸ BCHE P06276 2/20 0.47
▸ ACHE P22303 2/20 0.47
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ KIF11 P52732 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL18775297 0.80 MAOB (0.55) BCHEACHEMAOBKIF11
SCHEMBL23373046 0.79 KDM4E (0.67) KDM4EALDH1A1RAB9ACHKABCHE
SCHEMBL18775301 0.79 KDM4E (0.45) KDM4EALDH1A1RAB9ACHKABCHE
SCHEMBL4407306 0.78 CHKA (0.73) KDM4EALDH1A1RAB9ACHKABCHE
SCHEMBL30826135 0.77 BCHE (0.48) ALDH1A1CHKABCHEACHEMAPT
SCHEMBL18775294 0.77 BCHE (0.78) KDM4EALDH1A1RAB9ACHKABCHE
SCHEMBL13019482 0.75 KIF11 (0.61) ALDH1A1BCHEACHEMAOBKIF11
SCHEMBL1044865 0.75 KIF11 (0.61) ALDH1A1BCHEACHEMAOBKIF11
SCHEMBL15164180 0.75 CHKA (0.83) KDM4EALDH1A1RAB9ACHKABCHE
SCHEMBL17110032 0.75 KIF11 (0.61) ALDH1A1BCHEACHEMAOBKIF11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969931-B2 Electrochromic composition and electrochromic element CANON KABUSHIKI KAISHA (JP) 2018-05-15 — — US disclosed
US-20170114274-A1 ELECTROCHROMIC COMPOSITION AND ELECTROCHROMIC ELEMENT CANON KABUSHIKI KAISHA (JP) 2017-04-27 — — 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-20170114274-A1 ELECTROCHROMIC COMPOSITION AND ELECTROCHROMIC ELEMENT SCN11A, ECH1, H1-0 KDM4E 1299/4885ALDH1A1 656/4885RAB9A 2408/4885

“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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