SCHEMBL1711096

SCHEMBL1711096

COc1cc2c(cc1N1CCOCC1)C(C)(C)c1cc(O)c3ccccc3c1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AKR1C3 P42330 1/20 0.38
CNR2 P34972 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL164608 0.84 TSHR (0.41) PRKDCKDM4EALDH1A1GAAHPGD
SCHEMBL1816802 0.82 ALDH1A1 (0.40) PRKDCKDM4EALDH1A1GAAHPGD
SCHEMBL1711142 0.81 EP300 (0.45) GAATSHRL3MBTL1LMNATP53
SCHEMBL1711032 0.79 PDK2 (0.47) PRKDCKDM4EALDH1A1GAAHPGD
SCHEMBL2021919 0.74 MAPT (0.38) ALDH1A1TSHRL3MBTL1CYP1A2CYP3A4
SCHEMBL26629591 0.74 ALDH1A1 (0.41) PRKDCKDM4EALDH1A1GAAHPGD
SCHEMBL1813140 0.74 PTPN1 (0.37) ALDH1A1GAATSHRL3MBTL1USP2
SCHEMBL1093229 0.73 ALDH1A1 (0.41) PRKDCKDM4EALDH1A1GAAHPGD
SCHEMBL12424625 0.73 ALDH1A1 (0.38) PRKDCKDM4EALDH1A1GAAHPGD
SCHEMBL1710808 0.72 ALK (0.42) PRKDCKDM4EALDH1A1GAAHPGD

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 17 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-2345647-A2 Indeno-fused photochromic naphthopyrans, naphthols and photochromic articles TRANSITIONS OPTICAL, INC. (US) 2011-07-20 EP disclosed
EP-2345648-A1 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-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 PRKDC 4372/4885KDM4E 3189/4885ALDH1A1 2004/4885
US-20070155964-A1 Naphthols useful for preparing indeno-fused photochromic naphthopyrans IPO5, IPO4, NQO1 PRKDC 4801/4885KDM4E 4235/4885ALDH1A1 1506/4885
US-20090062533-A1 NAPHTHOLS USEFUL FOR PREPARING INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS IPO5, IPO4, NQO1 PRKDC 4801/4885KDM4E 4235/4885ALDH1A1 1506/4885

“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.