SCHEMBL122656

SCHEMBL122656

O=C=NCC1(CN=C=O)CC2CCC1C2

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL7186791 0.89 ALDH1A1 (0.34) ALDH1A1CYP3A4
SCHEMBL30365261 0.86
Methacrylic Acid SCHEMBL5760793 0.85 HSD11B1 (0.30)
SCHEMBL6030633 0.82
SCHEMBL6030245 0.80
SCHEMBL124615 0.67 GRIN2D (0.37)
SCHEMBL152170 0.67 ALOX5AP (0.37)
SCHEMBL21976124 0.67 ALOX5AP (0.30)
SCHEMBL28549300 0.67 ALOX5AP (0.33)
SCHEMBL8653901 0.67 ALOX5AP (0.30)

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 1622 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630662-B2 Distillation of polyisocyanates COVESTRO DEUTSCHLAND AG (DE) 2026-05-19 US claimed
EP-4739724-A1 MULTI-COMPONENT RESIN SYSTEM COMPRISING AT LEAST ONE PLASTICISER, MORTAR COMPOSITION BASED ON ISOCYANATE-AMINE ADDUCTS, AND METHOD AND USE OF THE MULTI-COMPONENT RESIN SYSTEM FOR FASTENING CONSTRUCTION ELEMENTS Hilti Aktiengesellschaft (LI) 2026-05-13 EP claimed
EP-4739723-A1 MULTI-COMPONENT RESIN SYSTEM COMPRISING AT LEAST ONE MONOALCOHOL, MORTAR COMPOSITION BASED ON ISOCYANATE-AMINE ADDUCTS, AND METHOD AND USE OF THE MULTI-COMPONENT RESIN SYSTEM FOR FASTENING CONSTRUCTION ELEMENTS Hilti Aktiengesellschaft (LI) 2026-05-13 EP claimed
US-20260062379-A1 METHOD FOR TREATING RESIDUE FROM THE PRODUCTION OF ORGANIC ISOCYANATES COVESTRO DEUTSCHLAND AG (DE) 2026-03-05 US claimed
WO-2025228991-A1 RECYCLABLE POLY(UREA-URETHANE) SYSTEM BASF SE (DE) 2025-11-06 WO claimed
WO-2025228982-A1 PROCESS FOR RECYCLING A COMPOSITION COMPRISING A POLY(UREA-URETHANE) POLYMER WITH HINDERED UREA BONDS BASF SE (DE) 2025-11-06 WO claimed
EP-4624014-A1 DEVICE AND METHOD FOR DISTILLING POLYISOCYANATES Covestro Deutschland AG (DE) 2025-10-01 EP claimed
EP-4357382-B1 IONICALLY MODIFIED POLYISOCYANATE MIXTURE COVESTRO DEUTSCHLAND AG (DE) 2025-07-23 EP claimed
EP-4574863-A1 POLYISOCYANATE MIXTURE Covestro Deutschland AG (DE) 2025-06-25 EP claimed
EP-4574870-A1 BLOCKED POLYISOCYANATE Covestro Deutschland AG (DE) 2025-06-25 EP claimed
US-20050137374-A1 Two-component water-borne adhesive BAYER MATERIALSCIENCE LLC 2005-06-23 US claimed
EP-1544226-A2 Two-component water-borne adhesive Bayer MaterialScience LLC (US) 2005-06-22 EP claimed
US-20040138403-A1 Hydrophilicized blocked polyisocyanates BAYER AKTIENGESELLSCHAFT (DE) 2004-07-15 US claimed
US-20040132909-A1 Dual cure systems ALLNEX NETHERLANDS B.V. (NL) 2004-07-08 US claimed
EP-1389223-A1 METHOD FOR PRODUCING POLYISOCYANATES Bayer Aktiengesellschaft (DE) 2004-02-18 EP claimed
US-20030078450-A1 Method for producing polyisocyanates COVESTRO DEUTSCHLAND AG (DE) 2003-04-24 US claimed
WO-2002092658-A1 METHOD FOR PRODUCING POLYISOCYANATES BAYER AKTIENGESELLSCHAFT (DE) 2002-11-21 WO claimed
EP-0962455-B1 Process for the preparation of imino-oxadiazine-dione groups containing polyisocyanates BAYER AG (DE) 2002-11-06 EP claimed
US-6090939-A TRIMERIZING AN ALIPHATIC POLYISOCYANATE IN PRESENCE OF A QUATERNARY PHOSPHONIUM POLYFLUORIDE CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2000-07-18 US claimed
EP-0962455-A1 Process for the preparation of imino-oxadiazine-dione groups containing polyisocyanates Bayer Aktiengesellschaft (DE) 1999-12-08 EP claimed

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-20260062379-A1 METHOD FOR TREATING RESIDUE FROM THE PRODUCTION OF ORGANIC ISOCYANATES APEH, ALKBH3, PGLS ALDH1A1 1124/4885CYP3A4 975/4885
US-12630662-B2 Distillation of polyisocyanates C1S, TAF9, C9 ALDH1A1 4190/4885CYP3A4 2820/4885
US-20030078450-A1 Method for producing polyisocyanates HDHD5, NISCH, DOHH ALDH1A1 2737/4885CYP3A4 1737/4885

“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.