SCHEMBL4389151

SCHEMBL4389151

CCOC(=O)/C=C(\c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP19A1 P11511 1/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47

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
SCHEMBL4389147 1.00 CES2 (0.54) CES2CES1HTTSMN1; SMN2NPSR1
SCHEMBL345282 0.94 HDAC3 (0.51) CES2CES1MEN1KMT2AHDAC3
SCHEMBL1070286 0.89 MEN1 (0.53) SMN1; SMN2NPSR1MEN1KMT2ANPC1
SCHEMBL13264797 0.88 MAPT (0.52) CES2CES1SMN1; SMN2MEN1KMT2A
SCHEMBL8999208 0.86 NPC1 (0.50) CES2CES1HTTSMN1; SMN2NPSR1
SCHEMBL8999201 0.86 NPC1 (0.50) CES2CES1HTTSMN1; SMN2NPSR1
SCHEMBL11891940 0.86 ALDH1A1 (0.54) HTTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL11296722 0.86 ALDH1A1 (0.54) HTTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL11296725 0.86 ALDH1A1 (0.54) HTTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL5500811 0.85 L3MBTL1 (0.50) HTTSMN1; SMN2MEN1KMT2AL3MBTL1

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
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-1458695-A1 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2004-09-22 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
WO-2003057679-A9 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE JOHNSON & JOHNSON VISION CARE (US) 2004-02-26 WO 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
WO-2003057679-A1 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE JOHNSON & JOHNSON VISION CARE, INC. (US) 2003-07-17 WO 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 CES2 1826/4885CES1 3890/4885HTT 464/4885
US-20030125552-A1 Photochromic oxazine compounds and methods for their manufacture PPOX, DHPS, ALDH1A2 CES2 1101/4885CES1 4060/4885HTT 643/4885

“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.