SCHEMBL17996794

SCHEMBL17996794

CC(C)c1ccccc1-[n+]1ccc(-c2cc[n+](-c3ccccc3C#N)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ TSHR P16473 1/20 0.34
▸ AR P10275 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31

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
SCHEMBL18011991 0.90 BCHE (0.41) BCHEACHETSHRARL3MBTL1
SCHEMBL17996995 0.85 GABRA1 (0.40) TSHRL3MBTL1ALDH1A1GABRA1GABRB2
SCHEMBL18012027 0.85 BCHE (0.47) BCHEACHETSHRALDH1A1
SCHEMBL20365814 0.84 GABRA1 (0.39) TSHRL3MBTL1ALDH1A1GABRA1GABRB2
Hydrochloric Acid SCHEMBL16563140 0.84 BCHE (0.46) BCHEACHETSHRALDH1A1
SCHEMBL17996993 0.78 BCHE (0.36) BCHEACHETSHRALDH1A1GABRA1
SCHEMBL17996799 0.78 ACHE (0.36) ACHETSHRALDH1A1GABRA1GABRB2
SCHEMBL18373526 0.77 CA1 (0.40) TSHRL3MBTL1GABRA1GABRB2
Hydrochloric Acid SCHEMBL2866117 0.76 BCHE (0.41) BCHEACHETSHR
SCHEMBL17997008 0.76 BCHE (0.38) BCHEACHETSHRALDH1A1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374230-A1 CROSSLINKED GEL FORMULATION ESSILOR INTERNATIONAL (FR) 2023-11-23 — — US disclosed
US-20230220274-A1 ELECTROCHROMIC SOLUTION ESSILOR INTERNATIONAL (FR) 2023-07-13 — — US disclosed
US-9841652-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-12-12 — — US disclosed
US-9823534-B2 Electrochromic single and two-core viologens and optical articles containing them ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-11-21 — — US disclosed
US-9785030-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-10-10 — — US disclosed
US-20160231635-A1 ELECTROCHROMIC SINGLE AND TWO-CORE VIOLOGENS AND OPTICAL ARTICLES CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-08-11 — — US disclosed
US-20160231636-A1 ELECTROCHROMIC COMPOSITION ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-08-11 — — 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-20160231635-A1 ELECTROCHROMIC SINGLE AND TWO-CORE VIOLOGENS AND OPTICAL ARTICLES CONTAINING THEM EYA2, CRY2, EYA3 BCHE 199/4885ACHE 44/4885TSHR 2948/4885

“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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