SCHEMBL22500364

SCHEMBL22500364

Cc1ccc(C)c(-c2cc(C)c(O)c(C)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ ALOX5 P09917 3/20 0.47
▸ PTGS1 P23219 3/20 0.47
▸ PTGS2 P35354 3/20 0.47
▸ ESRRA P11474 1/20 0.45
▸ GAA P10253 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ G6PD P11413 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ S1PR4 O95977 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL27704422 0.87 RPS6KA3 (0.45) CA1CA2ALOX5PTGS1PTGS2
SCHEMBL27685440 0.87 AKR1C2 (0.41) CA1CA2ALOX5PTGS1PTGS2
SCHEMBL27704412 0.87 ESRRA (0.40) CA1CA2ALOX5PTGS1PTGS2
SCHEMBL8053711 0.82 CA1 (0.54) CA1CA2ALOX5PTGS1PTGS2
SCHEMBL714974 0.79 ALDH1A1 (0.42) ESRRAGAAMEN1KMT2ATDP1
SCHEMBL27909891 0.79 CA1 (0.50) CA1CA2ALOX5PTGS1PTGS2
SCHEMBL20136961 0.79 TP53 (0.61) ESRRAGAAMEN1KMT2AG6PD
SCHEMBL27704500 0.79 SMPD3 (0.46) GAA
SCHEMBL5570177 0.79 CA2 (0.55) CA1CA2PTGS1PTGS2ESRRA
SCHEMBL27763861 0.79 ESR2 (0.46) ALOX5ESRRAMEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113646052-B Reversible thermochromic composition, reversible thermochromic microcapsule pigment, and writing instrument 百乐墨水株式会社 2024-05-17 — — CN disclosed
CN-113785023-B Water-based ink composition for reversible thermochromic writing instrument, refill for refill and water-based ballpoint pen incorporating same 株式会社百乐 2023-05-12 — — CN disclosed
CN-113785023-A Water-based ink composition for reversible thermal discoloration writing instrument, refill containing the same, and water-based ballpoint pen 株式会社百乐 2021-12-10 — — CN disclosed
CN-113646052-A Reversible thermal discoloration composition, reversible thermal discoloration microcapsule pigment encapsulating the reversible thermal discoloration composition, and writing instrument using the reversible thermal discoloration microcapsule pigment 百乐墨水株式会社 2021-11-12 — — CN disclosed
WO-2020209118-A1 REVERSIBLY THERMOCHROMIC AQUEOUS INK COMPOSITION FOR WRITING UTENSILS, AND REFILL AND WATER-BASED BALLPOINT PEN EACH INTERNALLY CONTAINING SAME 株式会社パイロットコーポレーション 2020-10-15 — — WO disclosed
WO-2020203603-A1 REVERSIBLE THERMOCHROMIC COMPOSITION, REVERSIBLE THERMOCHROMIC MICROCAPSULE PIGMENT COMPRISING SAME, AND WRITING INSTRUMENT USING SAME パイロットインキ株式会社 2020-10-08 — — WO disclosed
CN-101001887-B Multi-branched polymer and method for producing same NIPPON SODA CO.,LTD. (JP) 2012-02-08 — — CN disclosed
CN-101593852-B Multibranched polymers and process for production thereof NIPPON SODA CO 2011-03-02 — — CN disclosed
CN-101593852-A Multibranched polymers and manufacture method thereof NIPPON SODA CO (JP) 2009-12-02 — — CN disclosed
CN-101001887-A Multi-branched polymer and method for producing same NIPPON SODA CO (JP) 2007-07-18 — — CN disclosed
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