SCHEMBL1402331

SCHEMBL1402331

CCc1ccc2ccccc2c1[S]

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ HPRT1 P00492 1/20 0.41
▸ CYP1A2 P05177 2/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NCEH1 Q6PIU2 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ CYP1B1 Q16678 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
SCHEMBL5610103 0.84 ATM (0.45) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL7528799 0.81 GAA (0.42) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL1402654 0.77 CYP2A6 (0.46) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL607363 0.77 TSHR (0.56) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL103056 0.77 NCEH1 (0.50) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL10996479 0.75 CYP2A6 (0.44) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL2167788 0.75 — —
SCHEMBL1402335 0.75 CYP2A6 (0.44) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL14612757 0.75 CYP2A6 (0.44) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL6910872 0.75 CYP2A6 (0.54) CYP2A6TSHRALDH1A1HSD17B10TDP1

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115504896-B Acrylic formate compound for LED photopolymerization, preparation method and application thereof 湖北固润科技股份有限公司 2024-05-07 — — CN disclosed
WO-2024078413-A1 ACRYLOYL FORMATE COMPOUND FOR LED PHOTOPOLYMERIZATION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 湖北固润科技股份有限公司 2024-04-18 — — WO disclosed
CN-117142995-A Pyruvic acid (hetero) arylthioester compound for LED photopolymerization and preparation and application thereof 湖北固润科技股份有限公司 2023-12-01 — — CN disclosed
CN-117142994-A Amphiphilic polyether alpha-ketone (hetero) arylthioester compound for LED photopolymerization and preparation and application thereof 湖北固润科技股份有限公司 2023-12-01 — — CN disclosed
CN-115504896-A Acryloyl formate compound for LED photopolymerization, and preparation method and application thereof 湖北固润科技股份有限公司 2022-12-23 — — CN disclosed
EP-2123695-B1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND, RESIN, AND USE OF THE RESIN MITSUI CHEMICALS INC (JP) 2021-06-23 — — EP disclosed
EP-2314637-B1 COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, OPTICAL COMPONENT, AND PRODUCTION METHOD OF COMPOSITION MITSUI CHEMICALS INC (JP) 2017-07-12 — — EP disclosed
EP-2230271-B1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, AND USE OF THE POLYMERIZABLE COMPOSITION MITSUI CHEMICALS INC (JP) 2016-09-07 — — EP disclosed
EP-2982706-A1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, AND USE OF THE POLYMERIZABLE COMPOSITION Mitsui Chemicals, Inc. (JP) 2016-02-10 — — EP disclosed
EP-2292597-B1 METAL COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN, METHOD FOR PRODUCING THE RESIN AND USE OF THE RESIN MITSUI CHEMICALS INC (JP) 2015-03-04 — — EP disclosed
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 — — US disclosed
EP-1731547-A1 POLYMERIZABLE COMPOUNDS AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2006-12-13 — — EP disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 — — EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 — — EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 — — US disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 — — US disclosed
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 — — US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 — — EP disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 — — US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 — — 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 (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-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 CYP2A6 3649/4885TSHR 899/4885ALDH1A1 2128/4885
US-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 CYP2A6 769/4885TSHR 257/4885ALDH1A1 3508/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 CYP2A6 3649/4885TSHR 899/4885ALDH1A1 2128/4885

“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.

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