SCHEMBL1611495

SCHEMBL1611495

CCCCCCCCCCCCCCCCCCCCC[O]

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
THRB P10828 1/20 0.61
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
EPHX2 P34913 1/20 0.45
DNM1 Q05193 5/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC22A1 O15245 1/20 0.44

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
SCHEMBL1421224 1.00 TSHR (0.61) TSHRTHRBCES2CES1EPHX2
SCHEMBL1610834 1.00 TSHR (0.61) TSHRTHRBCES2CES1EPHX2
SCHEMBL130739 1.00 TSHR (0.61) TSHRTHRBCES2CES1EPHX2
SCHEMBL17261284 1.00 TSHR (0.61) TSHRTHRBCES2CES1EPHX2
SCHEMBL79575 1.00 TSHR (0.61) TSHRTHRBCES2CES1EPHX2
SCHEMBL28406 1.00
SCHEMBL17261285 1.00 TSHR (0.61) TSHRTHRBCES2CES1EPHX2
SCHEMBL340320 1.00 TSHR (0.61) TSHRTHRBCES2CES1EPHX2
SCHEMBL1609522 1.00 TSHR (0.61) TSHRTHRBCES2CES1EPHX2
SCHEMBL1612066 1.00 TSHR (0.61) TSHRTHRBCES2CES1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-09-06 US claimed
EP-2476678-A1 SUBSTITUTED CARBONYL COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 EP claimed
US-11820787-B2 Benfotiamine derivatives in the treatment of alzheimer's disease SHANGHAI RAISING PHARMACEUTICAL CO., LTD. (CN) 2023-11-21 US disclosed
US-20230263720-A1 COSMETIC SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-24 US disclosed
EP-4151279-A1 COSMETIC SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-03-22 EP disclosed
US-11591354-B2 Thiamine compound, preparation method and pharmaceutical composition thereof SHANGHAI RAISING PHARMACEUTICAL CO., LTD. (CN) 2023-02-28 US disclosed
CN-109791984-B Material for photoelectric conversion element for imaging element and photoelectric conversion element containing same 日本化药株式会社 2023-02-07 CN disclosed
CN-115551475-A Cosmetic preparation 信越化学工业株式会社 2022-12-30 CN disclosed
US-11374044-B2 Material for photoelectric conversion element for use in imaging element, and photoelectric conversion element including same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2022-06-28 US disclosed
CN-107797382-B Coloring composition 住友化学株式会社 2022-02-22 CN disclosed
EP-3929228-A1 BATTERY MATERIAL AND ELECTRODE MATERIAL Nissan Chemical Corporation (JP) 2021-12-29 EP disclosed
US-6306801-B1 Lubricating oil composition comprising acylated bissuccinimide, zinc dithiophosphate and metallic detergent NIPPON MITSUBISHI OIL CORPORATION (JP) 2001-10-23 US disclosed
EP-0995789-A2 Lubricating oil composition Nippon Mitsubishi Oil Corporation (JP) 2000-04-26 EP disclosed
WO-1999049865-A1 USE OF PLATELET ACTIVATING FACTOR (PAF) INHIBITORS TO INHIBIT IL-5 INDUCED EOSINOPHIL ACTIVATION OR DEGRANULATION MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1999-10-07 WO disclosed
EP-0103877-B1 PHOSPHATE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS OF THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-01-07 EP disclosed
EP-0071892-B1 PHOSPHOLIPID DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION OF THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-10-23 EP disclosed
US-4481196-A ANTI-FIBROSARCOMA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-11-06 US disclosed
EP-0103877-A1 Phosphate derivatives, process for preparation thereof and pharmaceutical compositions of the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-03-28 EP disclosed
EP-0089635-A2 Phospholipid derivatives, process for preparation thereof and pharmaceutical composition of the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-09-28 EP disclosed
EP-0071892-A2 Phospholipid derivatives, process for preparation thereof and pharmaceutical composition of the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 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 (5 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-11591354-B2 Thiamine compound, preparation method and pharmaceutical composition thereof SLC19A2, APP, BACE1 TSHR 553/4885THRB 112/4885CES2 4120/4885
US-11820787-B2 Benfotiamine derivatives in the treatment of alzheimer's disease PSEN2, PSEN1, SLC18A2 TSHR 2327/4885THRB 3586/4885CES2 727/4885
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND PTGER2, PTGER1, LTB4R2 TSHR 2206/4885THRB 1586/4885CES2 1304/4885
US-11374044-B2 Material for photoelectric conversion element for use in imaging element, and photoelectric conversion element including same SLC19A1, SLC46A1, SLC19A2 TSHR 4479/4885THRB 4537/4885CES2 1333/4885
US-20230263720-A1 COSMETIC ALG1, ALG3, CUTA TSHR 2924/4885THRB 1935/4885CES2 24/4885

“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.