SCHEMBL1815176

SCHEMBL1815176

CC1(C)c2cc(F)ccc2-c2c1cc(O)c1cc(F)ccc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.34
GCGR P47871 1/20 0.33
PDK2 Q15119 1/20 0.33
CA9 Q16790 2/20 0.32
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
AKR1A1 P14550 2/20 0.31
AKR1B1 P15121 2/20 0.31
KCNH2 Q12809 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL720632 0.90 PDK2 (0.38) PGRGCGRPDK2CA9CA3
SCHEMBL10134245 0.80 PDK2 (0.35) PDK2CA9CA1CA2CA7
SCHEMBL16713285 0.79 KDM4E (0.36) PDK2CA9CA6CA14CA1
SCHEMBL3147109 0.79 ALK (0.38) PDK2CA1CA2
SCHEMBL1010429 0.77 ALK (0.40) PDK2CA9CA1CA2CA7
SCHEMBL3143251 0.75 ALK (0.43) CA9CA6CA14CA1CA2
SCHEMBL3151398 0.75 ALK (0.43)
SCHEMBL1012466 0.75 FYN (0.37) PDK2
SCHEMBL9940214 0.73 MAOA (0.31)
SCHEMBL2630542 0.73 RAB9A (0.40) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2494408-B9 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP disclosed
EP-2494408-B1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-04-15 EP disclosed
EP-1966180-B1 PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2015-02-18 EP disclosed
US-8535577-B2 Photochromic materials that include 6-amino substituted indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2013-09-17 US disclosed
US-8518305-B2 Photochromic materials TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
EP-2494408-A1 PHOTOCHROMIC MATERIALS Transitions Optical, Inc. (US) 2012-09-05 EP disclosed
US-20120214992-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE 6-AMINO SUBSTITUTED INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2012-08-23 US disclosed
US-20110108781-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-12 US disclosed
WO-2011053615-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-05 WO disclosed
EP-1963896-B1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL INC (US) 2010-02-10 EP disclosed
US-7556751-B2 Photochromic materials having electron-withdrawing substituents TRANSITIONS OPTICAL, INC. (US) 2009-07-07 US disclosed
US-7527754-B2 Photochromic indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2009-05-05 US disclosed
EP-1966180-A1 PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2008-09-10 EP disclosed
EP-1963896-A1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2008-09-03 EP disclosed
WO-2007078529-A1 PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2007-07-12 WO disclosed
WO-2007073462-A1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2007-06-28 WO disclosed
US-20070138448-A1 Photochromic indeno-fused naphthopyrans TRANSITIONS OPTICAL LIMITED (IE) 2007-06-21 US disclosed
US-20070138449-A1 Photochromic materials having electron-withdrawing substituents TRANSITIONS OPTICAL LIMITED (IE) 2007-06-21 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-20110108781-A1 PHOTOCHROMIC MATERIALS INCENP, SMCHD1, NEDD8 PGR 2143/4885GCGR 3468/4885PDK2 2668/4885
US-20120214992-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE 6-AMINO SUBSTITUTED INDENO-FUSED NAPHTHOPYRANS NPEPPS, MITF, NR2E3 PGR 4334/4885GCGR 2545/4885PDK2 4156/4885
US-20070138448-A1 Photochromic indeno-fused naphthopyrans INTS6, IPO4, NQO1 PGR 2129/4885GCGR 4697/4885PDK2 587/4885

“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.