SCHEMBL1009822

SCHEMBL1009822

COc1cc2c(O)cc(C(C)(C)O)c(-c3ccc(Br)cc3)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.39
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
RAC1 P63000 2/20 0.33
KDR P35968 2/20 0.33
KLK7 P49862 1/20 0.33
RAB9A P51151 1/20 0.33
EGFR P00533 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
WDR5 P61964 1/20 0.33
GAA P10253 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 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
SCHEMBL8530835 0.86 FGFR2 (0.40) TP53LMNACYP3A4HPGDALOX15
SCHEMBL6823069 0.86 PDE4B (0.41) TP53LMNACYP3A4HPGDALOX15
SCHEMBL3947944 0.85 CSNK2A2 (0.39) TP53LMNACSNK2A2CSNK2BCSNK2A1
SCHEMBL3961375 0.84 IDO1 (0.41) SLC2A1TP53LMNACYP3A4HPGD
SCHEMBL3150964 0.80 LMNA (0.35) LMNAIDO1ALDH1A1MAPTMAPK1
SCHEMBL25837371 0.76 LCK (0.45) SLC2A1HPGDRAB9AEGFRWDR5
SCHEMBL3143388 0.75 PRNP (0.39) TP53LMNAHPGDCSNK2A1GAA
SCHEMBL163789 0.75 SLC6A3 (0.45) SLC2A1TP53ALDH1A1MAPTL3MBTL1
SCHEMBL9898544 0.72 KCNA5 (0.41) TP53CYP3A4HPGDRAB9AALDH1A1
SCHEMBL9934896 0.70 ANTXR2 (0.39) TP53CYP3A4HPGDGAAMGAM

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
CN-101203582-B Ophthalmic devices comprising photochromic materials with extended pi-conjugated systems JOHNSON & JOHNSON VISION CARE, INC. (US) 2015-08-19 CN disclosed
EP-1872173-B9 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL INC (US) 2011-01-05 EP disclosed
EP-1872173-B1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL INC (US) 2010-04-14 EP disclosed
US-20090072206-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS JOHNSON & JOHNSON VISION CARE, INC. 2009-03-19 US disclosed
US-20090032782-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2009-02-05 US disclosed
US-7481955-B2 Photochromic materials comprising metallocenyl groups TRANSITIONS OPTICAL, INC. (US) 2009-01-27 US disclosed
EP-1872173-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2008-01-02 EP disclosed
EP-1869140-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS Johnson and Johnson Vision Care, Inc. (US) 2007-12-26 EP disclosed
US-20070278460-A1 Photochromic materials comprising metallocenyl groups TRANSITIONS OPTICAL LIMITED (IE) 2007-12-06 US disclosed
WO-2006110513-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-10-19 WO disclosed
WO-2006110221-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2006-10-19 WO disclosed
US-20060226402-A1 Ophthalmic devices comprising photochromic materials having extended PI-conjugated systems KIM BEON-KYU 2006-10-12 US disclosed
US-20060228557-A1 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same TRANSITIONS OPTICAL, INC. 2006-10-12 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 (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-20060228557-A1 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same INCENP, PCNA, INTS6 SLC2A1 2772/4885TP53 605/4885LMNA 404/4885
US-20090032782-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME INTS6, INCENP, PCNA SLC2A1 2913/4885TP53 539/4885LMNA 352/4885

“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.