SCHEMBL17996795

SCHEMBL17996795

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SLC22A2 O15244 1/20 0.37
▸ SLC22A1 O15245 1/20 0.37
▸ SLC22A3 O75751 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ KIF11 P52732 1/20 0.35
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ CA1 P00915 1/20 0.32

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
Hydrochloric Acid SCHEMBL16563090 0.98 CA2 (0.40) CA2ALDH1A1TSHRTDP1SLC22A2
SCHEMBL17996807 0.91 SLC22A2 (0.35) CA2ALDH1A1TSHRTDP1SLC22A2
Hydrochloric Acid SCHEMBL16563083 0.88 KIF11 (0.42) CA2ALDH1A1TSHRTDP1KIF11
SCHEMBL17997003 0.87 ALDH1A1 (0.34) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL18012043 0.85 BCHE (0.41) CA2ALDH1A1TSHRTDP1KIF11
SCHEMBL16563077 0.84 SLC22A2 (0.31) CA2ALDH1A1TSHRTDP1SLC22A2
SCHEMBL17997006 0.78 ACHE (0.41) CA2KIF11
SCHEMBL19888150 0.71 ACHE (0.44) CA2ALDH1A1TSHRTDP1SLC22A2
SCHEMBL12963296 0.70 RBP4 (0.34) ALDH1A1TSHRTDP1
SCHEMBL29355273 0.68 ALDH1A1 (0.63) CA2ALDH1A1TSHRTDP1KIF11

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 13 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-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-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-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-9785030-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-10-10 — — US disclosed
US-20160282694-A1 ELECTROCHROMIC COMPOSITION ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-09-29 — — 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
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 CA2 398/4885ALDH1A1 2566/4885TSHR 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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