SCHEMBL6536567

SCHEMBL6536567

C1=CC(c2ccccc2)(c2ccccc2)Cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
HDAC9 Q9UKV0 1/20 0.33
TSHR P16473 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL7729865 0.91 SLC6A2 (0.33) PARP1CA1CA2
SCHEMBL6689781 0.84 OPRM1 (0.32) HDAC9
SCHEMBL6687459 0.82 KDM1A (0.41)
SCHEMBL31442138 0.77 HDAC9 (0.35) PARP1CA1CA2HDAC9
SCHEMBL29223962 0.77 CA1 (0.33) PARP1CA1CA2HDAC9
SCHEMBL11856621 0.77 MAOA (0.36) PARP1CA1CA2HDAC9MAOA
SCHEMBL7764690 0.76 MEN1 (0.37)
SCHEMBL15345499 0.74 MAOB (0.40) PARP1CA1CA2HDAC9MAOA
SCHEMBL2288761 0.74 PARP1 (0.39) PARP1CA1CA2TSHRMAOB
SCHEMBL6689248 0.73 HDAC9 (0.33) HDAC9

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
CN-117257652-A Photochromic orthodontic bracket adhesive and preparation method and application thereof 武汉大学 2023-12-22 CN claimed
EP-1042311-A1 PHOTOCHROMIC 6-ARYL SUBSTITUTED 3H-NAPHTHO 2,1-b]PYRANS TRANSITIONS OPTICAL, INC. (US) 2000-10-11 EP claimed
WO-1999031082-A1 PHOTOCHROMIC 6-ARYL SUBSTITUTED 3H-NAPHTHO[2,1-b]PYRANS TRANSITIONS OPTICAL, INC. (US) 1999-06-24 WO claimed
CN-117257652-A Photochromic orthodontic bracket adhesive and preparation method and application thereof 武汉大学 2023-12-22 CN disclosed
CN-117257652-A Photochromic orthodontic bracket adhesive and preparation method and application thereof 武汉大学 2023-12-22 CN disclosed
CN-117165640-A In-situ microbial fermentation modified photochromic bacterial cellulose membrane and preparation method and application thereof 武汉纺织大学 2023-12-05 CN disclosed
CN-115869867-B Microcapsule containing polyurethane/urea resin wall material of siloxane and preparation method thereof 湖南大学 2023-09-19 CN disclosed
CN-115869867-A Microcapsule containing polyurethane/urea resin wall material of siloxane and preparation method thereof 湖南大学 2023-03-31 CN disclosed
WO-2021095372-A1 INK COMPOSITION FOR INK-JET RECORDING AND METHOD FOR RECORDING IMAGE 富士フイルム株式会社 2021-05-20 WO disclosed
WO-2021074275-A1 EFFECTIVE PHOTOMODULATION OF LANTHANIDE (III) ION LUMINESCENCE IN THE VISIBLE OR NEAR-INFRARED RANGE UNIVERSITE DE RENNES 1 (FR) 2021-04-22 WO disclosed
CN-111744746-A Method for producing photochromic resin body and method for producing substrate for adding function 尼德克株式会社 2020-10-09 CN disclosed
US-6262155-B1 OPHTHALMIC LENSES CORNING INCORPORATED 2001-07-17 US disclosed
US-6174464-B1 LENS COMPOSED OF POLYMER MATRIX OF HIGH OPTICAL QUALITY AND AT LEAST ONE DYE CAPABLE OF IMPARTING PHOTOCHROMIC PROPERTIES TO LENS CORNING INCORPORATED 2001-01-16 US disclosed
EP-1042311-A1 PHOTOCHROMIC 6-ARYL SUBSTITUTED 3H-NAPHTHO 2,1-b]PYRANS TRANSITIONS OPTICAL, INC. (US) 2000-10-11 EP disclosed
WO-2000034805-A2 METHOD OF PREPARING A SHAPED ARTICLE HAVING A PHOTOCHROMIC COATING THEREON PPG INDUSTRIES OHIO, INC. (US) 2000-06-15 WO disclosed
US-5973039-A PHOTOCHROMIC TRANSPARENT ORGANIC MATERIALS USEFUL FOR PRODUCTION OF OPHTHALMIC LENSES CORNING INCORPORATED (US) 1999-10-26 US disclosed
WO-1999031082-A1 PHOTOCHROMIC 6-ARYL SUBSTITUTED 3H-NAPHTHO[2,1-b]PYRANS TRANSITIONS OPTICAL, INC. (US) 1999-06-24 WO disclosed
EP-0710367-A4 1996-05-15 EP disclosed
EP-0710367-A1 PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1996-05-08 EP disclosed
WO-1995016215-A1 NOVEL SUBSTITUTED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1995-06-15 WO disclosed