SCHEMBL2064680

SCHEMBL2064680

CCC(N)(O)C(C)(CC)CC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.30

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
Water SCHEMBL319991 0.97 TSHR (0.32) TSHRTDP1
Acetic Acid SCHEMBL320014 0.87 ALDH1A1 (0.34) TSHRALDH1A1
SCHEMBL28264424 0.78 TSHR (0.35) TSHRTDP1ALDH1A1
SCHEMBL28696309 0.78
SCHEMBL6842686 0.73
SCHEMBL16005774 0.73
SCHEMBL50175 0.72
SCHEMBL15651255 0.72 TSHR (0.43) TSHRTDP1ALDH1A1
SCHEMBL2889072 0.72
SCHEMBL24999912 0.69 TSHR (0.40) TSHRTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146486-A Polyisocyanate composition containing isocyanurate structure with low color number, and preparation method and application thereof 万华化学集团股份有限公司 2024-06-07 CN claimed
CN-116239755-A Polyisocyanate composition with high reactivity and preparation method thereof 万华化学集团股份有限公司 2023-06-09 CN claimed
CN-114057991-B Fast-curing polyisocyanate composition and preparation method and application thereof 万华化学集团股份有限公司 2023-03-03 CN claimed
CN-114057991-A Fast-curing polyisocyanate composition and preparation method and application thereof 万华化学集团股份有限公司 2022-02-18 CN claimed
EP-4190832-B1 POLYISOCYANATE COMPOSITION, COATING COMPOSITION AND COATED SUBSTRATE ASAHI CHEMICAL IND (JP) 2026-04-08 EP disclosed
US-20260092138-A1 BLOCKED POLYISOCYANATE COMPOSITION, CURABLE RESIN COMPOSITION COMPRISING THE COMPOSITION, AND CURED PRODUCT KOEI CHEMICAL COMPANY, LIMITED (JP) 2026-04-02 US disclosed
EP-4008757-B1 BLOCKED POLYISOCYANATE COMPOSITION, ONE-COMPONENT COATING COMPOSITION, COATING FILM AND COATED ARTICLE ASAHI CHEMICAL IND (JP) 2026-03-18 EP disclosed
EP-3309189-B1 POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, TWO-LIQUID CURABLE POLYURETHANE COMPOSITION, AND COATING MATERIAL MITSUI CHEMICALS INC (JP) 2026-03-04 EP disclosed
EP-3309186-B1 POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, TWO-LIQUID CURABLE POLYURETHANE COMPOSITION, COATING MATERIAL, AND ADHESIVE MATERIAL MITSUI CHEMICALS INC (JP) 2025-12-03 EP disclosed
EP-4653481-A1 POLYISOCYANATE COMPOSITION, MIXTURE, COATING COMPOSITION, AND COATING FILM Asahi Kasei Kabushiki Kaisha (JP) 2025-11-26 EP disclosed
US-12466912-B2 Blocked polyisocyanate composition, heat-curable resin composition, cured product, and production method therefor KOEI CHEMICAL COMPANY, LIMITED (JP) 2025-11-11 US disclosed
US-12410277-B2 Block polyisocyanate composition, resin composition, resin film and layered body ASAHI KASEI KABUSHIKI KAISHA (JP) 2025-09-09 US disclosed
US-20040191418-A1 Paint film forming method KANSAI PAINT CO., LTD. (JP) 2004-09-30 US disclosed
EP-0458333-B2 Polyisocyanato-isocyanurate, and preparation process and use of the same MITSUI TOATSU CHEMICALS (JP) 2001-11-07 EP disclosed
US-5849855-A Blocked polyisocyanate composition and one-pack thermocuring resin composition comprising the same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-12-15 US disclosed
EP-0458333-B1 Polyisocyanato-isocyanurate, and preparation process and use of the same MITSUI TOATSU CHEMICALS (JP) 1996-01-24 EP disclosed
EP-0566037-A2 Polyisocyanates, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 EP disclosed
US-5159045-A Curing agent for non-yellowing paint MITSUI TOATSU CHEMICALS, INC. (JP) 1992-10-27 US disclosed
EP-0458333-A2 Polyisocyanato-isocyanurate, and preparation process and use of the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-11-27 EP disclosed
US-4801663-A SUPERIOR COATINGS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-01-31 US 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 (2 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-20260092138-A1 BLOCKED POLYISOCYANATE COMPOSITION, CURABLE RESIN COMPOSITION COMPRISING THE COMPOSITION, AND CURED PRODUCT RER1, RPP30, REV1 TSHR 3522/4885TDP1 1778/4885ALDH1A1 1319/4885
US-12466912-B2 Blocked polyisocyanate composition, heat-curable resin composition, cured product, and production method therefor THEM6, PUF60, PSMC6 TSHR 3350/4885TDP1 3051/4885ALDH1A1 1722/4885

“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.