SCHEMBL1010387

SCHEMBL1010387

COc1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.73
CYP2C19 P33261 2/20 0.73
CYP3A4 P08684 2/20 0.73
CYP2C9 P11712 1/20 0.73
TSHR P16473 1/20 0.73
ALDH1A1 P00352 2/20 0.68
GAA P10253 2/20 0.68
ACHE P22303 6/20 0.63
BCHE P06276 4/20 0.63
HPGD P15428 2/20 0.62
CYP2D6 P10635 1/20 0.62
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
CA7 P43166 1/20 0.61
TPMT P51580 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61

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
SCHEMBL1333620 0.91 CYP1A2 (0.81) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL27976009 0.90 CYP1A2 (0.62) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL9364577 0.88 CYP1A2 (0.96) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL31061854 0.86 CYP1A2 (0.85) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL1493250 0.86 CYP1A2 (1.00) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL23201243 0.85 CYP1A2 (0.71) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL30514361 0.85 CYP1A2 (0.71) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL786660 0.85 TUBB4A (0.69) ALDH1A1HPGDMAPT
SCHEMBL6872165 0.84 TSHR (0.81) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL28794374 0.82 CYP1A2 (0.60) CYP1A2CYP2C19CYP3A4CYP2C9TSHR

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 31 patents — showing the first 20. 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
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-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-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-20030045726-A1 Novel immunotherapeutic agents MULLER GEORGE W (US) 2003-03-06 US disclosed
US-6479554-B2 CYANO AND CARBOXY DERIVATIVES OF SUBSTITUTED STYRENES ARE INHIBITORS OF TUMOR NECROSIS FACTOR ALPHA , NUCLEAR FACTOR KAPPA B, AND PHOSPHODIESTERASE AND CAN BE USED TO TREAT CACHEXIA, ENDOTOXIC SHOCK, INFLAMMATORY CONDITIONS ETC. CELGENE CORPORATION 2002-11-12 US disclosed
US-20010056107-A1 Novel immunotherapeutic agents MULLER GEORGE W (US) 2001-12-27 US disclosed
US-6262101-B1 ALPHA-PYRROLIDINE, IMIDAZOLE AND THIOPHENE-SUBSTITUTED STYRENE DERIVATIVES; INHIBITORS OF TUMOR NECROSIS FACTOR ALPHA, NUCLEAR FACTOR KAPPA B, AND PHOSPHODIESTERASE CELGENE CORPORATION 2001-07-17 US disclosed
US-6130226-A Immunotherapeutic agents CELGENE CORPORATION (US) 2000-10-10 US disclosed
US-5929117-A COMPOUNDS WHICH MEDIATE ACTION OF PHOSPHODIESTERASE AND FORMATION OF TUMOR NECROSIS FACTOR AND NUCLEAR FACTORS CELGENE CORPORATION (US) 1999-07-27 US disclosed
EP-0918746-A1 IMMUNOTHERAPEUTIC AGENTS AND THEIR USE IN THE REDUCTION OF CYTOKINE LEVELS CELGENE CORPORATION (US) 1999-06-02 EP disclosed
WO-1998006692-A1 NOVEL IMMUNOTHERAPEUTIC AGENTS AND THEIR USE IN THE REDUCTION OF CYTOKINE LEVELS CELGENE CORPORATION (US) 1998-02-19 WO disclosed
US-4910200-A Agricultural fungicide CELAMERCK GMBH & CO. KG (DE) 1990-03-20 US disclosed
EP-0219756-A1 Acrylic amides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-04-29 EP 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 (4 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-20090032782-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME INTS6, INCENP, PCNA CYP1A2 911/4885CYP2C19 914/4885CYP3A4 828/4885
US-20110108781-A1 PHOTOCHROMIC MATERIALS INCENP, SMCHD1, NEDD8 CYP1A2 1319/4885CYP2C19 2007/4885CYP3A4 2934/4885
US-20030045726-A1 Novel immunotherapeutic agents NFKBIA, RELA, IKBKG CYP1A2 3471/4885CYP2C19 4166/4885CYP3A4 3495/4885
US-20010056107-A1 Novel immunotherapeutic agents NFKBIA, RELA, IKBKG CYP1A2 3471/4885CYP2C19 4166/4885CYP3A4 3495/4885

“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.