SCHEMBL12287094

SCHEMBL12287094

[C-]#[N+]c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(C#N)cc4)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 1/20 0.36
▸ KIF11 P52732 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ CYP2A6 P11509 2/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ HDAC2 Q92769 1/20 0.30

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
SCHEMBL4325064 0.86 MMP3 (0.46) MMP3KIF11HDAC8CYP2A6ENPP2
Bromide SCHEMBL10597082 0.84 MMP3 (0.45) MMP3KIF11HDAC8CYP2A6ENPP2
Hydrochloric Acid SCHEMBL2463206 0.84 MMP3 (0.45) MMP3KIF11HDAC8CYP2A6ENPP2
SCHEMBL13019484 0.82 MMP3 (0.52) MMP3KIF11CYP2A6ENPP2CA12
SCHEMBL8974055 0.82 MMP3 (0.52) MMP3KIF11CYP2A6ENPP2CA12
SCHEMBL8773276 0.82 MMP3 (0.52) MMP3KIF11CYP2A6ENPP2CA12
SCHEMBL324969 0.80 CA2 (0.46) MMP3KIF11HDAC8CYP2A6ENPP2
SCHEMBL6660002 0.79 KIF11 (0.41) MMP3KIF11HDAC8CYP2A6ENPP2
SCHEMBL19689478 0.77 HDAC8 (0.61) MMP3KIF11HDAC8CYP2A6ENPP2
SCHEMBL6660004 0.77 KIF11 (0.40) MMP3KIF11HDAC8CYP2A6ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20160231636-A1 ELECTROCHROMIC COMPOSITION ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-08-11 — — US disclosed
US-8437067-B2 Electrochemical display element KONICA MINOLTA HOLDINGS, INC. (JP) 2013-05-07 — — US disclosed
US-8294974-B2 Electrochromic material and electrochromic device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-10-23 — — US disclosed
US-20110235150-A1 ELECTROCHROMIC MATERIAL AND ELECTROCHROMIC DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-09-29 — — US disclosed
US-20110019265-A1 DISPLAY ELEMENT AND METHOD OF FORMING POROUS LAYER IN DISPLAY ELEMENT KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-27 — — US disclosed
US-20110013261-A1 ELECTROCHEMICAL DISPLAY ELEMENT KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-20 — — 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-20110235150-A1 ELECTROCHROMIC MATERIAL AND ELECTROCHROMIC DEVICE INCLUDING THE SAME EPN1, RPS3A, RPS10 MMP3 3635/4885KIF11 700/4885HDAC8 4303/4885

“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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