SCHEMBL1711076

SCHEMBL1711076

CC1(C)c2cc(N3CCOCC3)ccc2-c2c1c1c(c3ccccc23)OC(c2ccccc2)(c2ccc(N3CCOCC3)cc2)C=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.36
PDK2 Q15119 2/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIK3CA P42336 5/20 0.34
PIK3CD O00329 4/20 0.34
PIK3CB P42338 4/20 0.34
KIF11 P52732 2/20 0.34
PIK3CG P48736 1/20 0.34
PRKDC P78527 1/20 0.34
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL25844138 0.94 MAPT (0.35) ALKPDK2ADORA2AADORA1KDM4E
SCHEMBL3155860 0.93 ALDH1A1 (0.33) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL1333000 0.92 RAB9A (0.35) ALKPDK2KDM4EALDH1A1MAPT
SCHEMBL1710974 0.92 RAB9A (0.35) ALKPDK2KDM4EALDH1A1MAPT
SCHEMBL30914180 0.92 RAB9A (0.35) ALKPDK2KDM4EALDH1A1MAPT
SCHEMBL25844147 0.92 ALK (0.36) ALKPDK2ADORA2AADORA1KDM4E
SCHEMBL30658614 0.92 PDK2 (0.35) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL21681691 0.92 PDK2 (0.35) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL25602404 0.91 ALK (0.45) ALKKITKDR
SCHEMBL25716067 0.91 PDK2 (0.34) PDK2KDM4EALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606274-B9 INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS, NAPHTHOLS AND PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2019-01-16 EP claimed
EP-1606274-B1 INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS, NAPHTHOLS AND PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2018-08-08 EP claimed
EP-2345647-A2 Indeno-fused photochromic naphthopyrans, naphthols and photochromic articles TRANSITIONS OPTICAL, INC. (US) 2011-07-20 EP claimed
US-7262295-B2 Indeno-fused photochromic naphthopyrans, naphthols and photochromic articles TRANSITIONS OPTICAL, INC. (US) 2007-08-28 US claimed
US-7166357-B2 Photochromic articles that activate behind ultraviolet radiation blocking transparencies and methods for preparation TRANSITIONS OPTICAL, INC. (US) 2007-01-23 US claimed
US-20040185255-A1 Indeno-fused photochromic naphthopyrans, naphthols and photochromic articles TRANSITIONS OPTICAL LIMITED (IE) 2004-09-23 US claimed
US-20040185268-A1 Photochromic articles that activate behind ultraviolet radiation blocking transparencies and methods for preparation TRANSITIONS OPTICAL LIMITED (IE) 2004-09-23 US claimed
EP-1606274-B9 INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS, NAPHTHOLS AND PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2019-01-16 EP disclosed
EP-1606274-B1 INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS, NAPHTHOLS AND PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2018-08-08 EP disclosed
EP-2345648-B1 Indeno-fused photochromic naphthopyrans, naphthols and photochromic articles TRANSITIONS OPTICAL INC (US) 2012-10-24 EP disclosed
EP-2345648-A1 Indeno-fused photochromic naphthopyrans, naphthols and photochromic articles TRANSITIONS OPTICAL, INC. (US) 2011-07-20 EP disclosed
EP-2345647-A2 Indeno-fused photochromic naphthopyrans, naphthols and photochromic articles TRANSITIONS OPTICAL, INC. (US) 2011-07-20 EP disclosed
US-7557208-B2 Naphthols useful for preparing indeno-fused photochromic naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2009-07-07 US disclosed
US-7517982-B2 Naphthols useful for preparing indeno-fused photochromic naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2009-04-14 US disclosed
US-20090062533-A1 NAPHTHOLS USEFUL FOR PREPARING INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2009-03-05 US disclosed
US-7262295-B2 Indeno-fused photochromic naphthopyrans, naphthols and photochromic articles TRANSITIONS OPTICAL, INC. (US) 2007-08-28 US disclosed
US-20070155964-A1 Naphthols useful for preparing indeno-fused photochromic naphthopyrans TRANSITIONS OPTICAL LIMITED (IE) 2007-07-05 US disclosed
US-7166357-B2 Photochromic articles that activate behind ultraviolet radiation blocking transparencies and methods for preparation TRANSITIONS OPTICAL, INC. (US) 2007-01-23 US disclosed
US-20040185255-A1 Indeno-fused photochromic naphthopyrans, naphthols and photochromic articles TRANSITIONS OPTICAL LIMITED (IE) 2004-09-23 US disclosed
US-20040185268-A1 Photochromic articles that activate behind ultraviolet radiation blocking transparencies and methods for preparation TRANSITIONS OPTICAL LIMITED (IE) 2004-09-23 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 (3 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-20040185255-A1 Indeno-fused photochromic naphthopyrans, naphthols and photochromic articles IPO4, NPM1, PPOX ALK 3416/4885PDK2 3531/4885ADORA2A 2937/4885
US-20070155964-A1 Naphthols useful for preparing indeno-fused photochromic naphthopyrans IPO5, IPO4, NQO1 ALK 3220/4885PDK2 2215/4885ADORA2A 2965/4885
US-20090062533-A1 NAPHTHOLS USEFUL FOR PREPARING INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS IPO5, IPO4, NQO1 ALK 3220/4885PDK2 2215/4885ADORA2A 2965/4885

“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.