SCHEMBL4392162

SCHEMBL4392162

COc1ccc(C=O)c(-c2ccc(F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
TRIM24 O15164 1/20 0.51
TYR P14679 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
MDM2 Q00987 2/20 0.49
GSK3B P49841 1/20 0.48
APP P05067 1/20 0.48
ERN1 O75460 3/20 0.47
MAPK14 Q16539 1/20 0.47
RELA Q04206 2/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
NCOR2 Q9Y618 1/20 0.45
NFE2L2 Q16236 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL19153107 0.90 MDM2 (0.49) ALDH1A1TRIM24TYRTRIM33MDM2
SCHEMBL18284498 0.84 ALDH1A1 (0.53) ALDH1A1TRIM24TYRTRIM33MDM2
SCHEMBL8782875 0.83 HDAC8 (0.59) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL19153822 0.81 ERN1 (0.43) ALDH1A1MDM2ERN1NFE2L2MEN1
SCHEMBL19153327 0.81 ALDH1A1 (0.53) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL10899584 0.80 ALDH1A1 (0.49) ALDH1A1TRIM24TYRTRIM33MDM2
SCHEMBL8514117 0.80 AKR1A1 (0.44) ALDH1A1MAPK14HDAC8MAOB
SCHEMBL19154093 0.80 ERN1 (0.50) ALDH1A1TRIM24TYRTRIM33MDM2
SCHEMBL16055890 0.80 ERN1 (0.41) ALDH1A1TRIM24TYRTRIM33MDM2
SCHEMBL28854283 0.79 ALDH1A1 (0.60) ALDH1A1TRIM24TYRTRIM33ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626046-B1 Photochromic oxazine compounds and methods for their manufacture ESSILOR INT (FR) 2014-11-19 EP disclosed
EP-1458695-B1 Method for the manufacture of photochromic oxazine compounds and compounds obtainable therefrom ESSILOR INT (FR) 2012-10-03 EP disclosed
EP-1446390-B1 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE ESSILOR INT (FR) 2009-12-02 EP disclosed
EP-1626046-A1 Photochromic oxazine compounds and methods for their manufacture Johson & Johnson Vision Care Inc. (US) 2006-02-15 EP disclosed
EP-1446390-A2 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2004-08-18 EP disclosed
US-6720420-B2 AROMATIC, HETEROAROMATIC, OR ALIPHATIC SUBSTITUENTS AT THE 2 POSITION OF THE OXAZINE MOIETY; REACTING 3,3-DISUBSTITUTED ACRYLIC ACID, AZIDE SOURCE, QUINONE WITH CATALYTIC TRIPHENYLARSENIC OXIDE AND DBU; QUICKLY FADING GRAY COLOR JOHNSON & JOHNSON VISION CARE, INC. 2004-04-13 US disclosed
US-6686466-B2 HEATING AN ISOCYANATE DERIVATIVE WITH A SYMMETRIC QUINONE IN PRESENCE OF TRIPHENYLARSEN OXIDE CATALYST TO FORM 2,2-DIPHENYL-PHENANTHRO (9,10)-2H-(1,4)-OXAZINE DERIVATIVES JOHNSON & JOHNSON VISION CARE, INC. 2004-02-03 US disclosed
US-20030149032-A1 Photochromic oxazine compounds and methods for their manufacture ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2003-08-07 US disclosed
US-20030125552-A1 Photochromic oxazine compounds and methods for their manufacture ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2003-07-03 US disclosed
WO-2003042195-A2 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE JOHNSON & JOHNSON VISION CARE, INC. (US) 2003-05-22 WO 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 (2 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-20030149032-A1 Photochromic oxazine compounds and methods for their manufacture PPOX, TYR, DHPS ALDH1A1 103/4885TRIM24 3357/4885TYR 2/4885
US-20030125552-A1 Photochromic oxazine compounds and methods for their manufacture PPOX, DHPS, ALDH1A2 ALDH1A1 120/4885TRIM24 3863/4885TYR 15/4885

“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.