SCHEMBL1711032

SCHEMBL1711032

CC1(C)c2cc(N3CCOCC3)ccc2-c2c1cc(O)c1ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.47
ALK Q9UM73 2/20 0.43
PRKDC P78527 3/20 0.41
PIK3CA P42336 4/20 0.41
PIK3CD O00329 3/20 0.41
PIK3CB P42338 3/20 0.41
PIK3CG P48736 3/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
PTK2B Q14289 1/20 0.40
PKM P14618 1/20 0.38
PSMD14 O00487 1/20 0.38

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
SCHEMBL1711113 0.89 PDK2 (0.44) PDK2ALKMAPTKDM4EALDH1A1
SCHEMBL1710808 0.85 ALK (0.42) PDK2ALKPRKDCPIK3CAMAPT
SCHEMBL10018191 0.81 PDK2 (0.47) PDK2ALKPRKDCPIK3CAPIK3CD
SCHEMBL1711096 0.79 PRKDC (0.40) ALKPRKDCMAPTKDM4EALDH1A1
SCHEMBL1711119 0.78 CHEK1 (0.41) PDK2ALKPRKDCMAPTKDM4E
SCHEMBL1711185 0.78 ALK (0.40) PDK2ALKPRKDCPIK3CAMAPT
SCHEMBL15449609 0.78 PDK2 (0.40) PDK2PRKDCPIK3CAMAPTKDM4E
SCHEMBL24605103 0.76 PDK2 (0.43) PDK2ALKPRKDCPIK3CAPIK3CD
SCHEMBL15452246 0.75 PDK2 (0.38) PDK2PRKDCPIK3CAPIK3CDPIK3CB
SCHEMBL10049683 0.75 PDK2 (0.43) PDK2ALKPRKDCPIK3CAPIK3CD

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 19 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-7517982-B2 Naphthols useful for preparing indeno-fused photochromic naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2009-04-14 US claimed
US-20070155964-A1 Naphthols useful for preparing indeno-fused photochromic naphthopyrans TRANSITIONS OPTICAL LIMITED (IE) 2007-07-05 US claimed
US-20040185255-A1 Indeno-fused photochromic naphthopyrans, naphthols and photochromic articles 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
EP-1606274-A1 INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS, NAPHTHOLS AND PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 2005-12-21 EP disclosed
WO-2005090327-A1 INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS, NAPHTHOLS AND PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 2005-09-29 WO disclosed
US-20040185255-A1 Indeno-fused photochromic naphthopyrans, naphthols and photochromic articles 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 PDK2 3531/4885ALK 3416/4885PRKDC 4372/4885
US-20070155964-A1 Naphthols useful for preparing indeno-fused photochromic naphthopyrans IPO5, IPO4, NQO1 PDK2 2215/4885ALK 3220/4885PRKDC 4801/4885
US-20090062533-A1 NAPHTHOLS USEFUL FOR PREPARING INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS IPO5, IPO4, NQO1 PDK2 2215/4885ALK 3220/4885PRKDC 4801/4885

“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.