SCHEMBL3331827

SCHEMBL3331827

CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1.O=C=NCCCCN=C=O

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.86
CYP3A4 P08684 1/20 0.86

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
SCHEMBL1231245 0.99 ALDH1A1 (0.83) ALDH1A1CYP3A4
SCHEMBL27085118 0.99 ALDH1A1 (0.83) ALDH1A1CYP3A4
SCHEMBL28174008 0.97 ALDH1A1 (0.86) ALDH1A1CYP3A4
SCHEMBL15234191 0.93 ALDH1A1 (0.79) ALDH1A1CYP3A4
SCHEMBL2821152 0.93 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL28910450 0.93 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL6836764 0.93 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL30393565 0.93 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL29932997 0.93 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL5610404 0.93 ALDH1A1 (1.00) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240147990-A1 Delivery Particles Based On Amine-Thiol-Ene Conjugates and Derivatives ENCAPSYS, LLC (US) 2024-05-09 US disclosed
US-11945946-B2 Polyurea and poly(beta-amino ester) capsules with enhanced degradability ENCAPSYS, LLC (US) 2024-04-02 US disclosed
US-20240052259-A1 SOLID DISSOLVABLE COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2024-02-15 US disclosed
US-20240052260-A1 LOW-WATER COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2024-02-15 US disclosed
WO-2024036118-A1 SOLID DISSOLVABLE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2024-02-15 WO disclosed
WO-2024036119-A1 LOW-WATER COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2024-02-15 WO disclosed
US-11648522-B2 Polyurea capsules cross-linked with chitosan ENCAPSYS, LLC (US) 2023-05-16 US disclosed
US-20230072724-A1 ARTICLES OF MANUFACTURE WITH DEGRADABLE DELIVERY PARTICLES BASED FROM AMINE CONTAINING NATURAL MATERIALS ENCAPSYS, LLC (US) 2023-03-09 US disclosed
US-20230062702-A1 FABRIC CARE COMPOSITION WITH DELIVERY PARTICLES THE PROCTER & GAMBLE COMPANY 2023-03-02 US disclosed
US-20230061781-A1 METHOD OF TREATING A FABRIC WITH DELIVERY PARTICLES THE PROCTER & GAMBLE COMPANY 2023-03-02 US disclosed
US-20210339217-A1 Articles of Manufacture with Polyurea Capsules Cross-linked with Chitosan ENCAPSYS, LLC 2021-11-04 US disclosed
US-20210252469-A1 Polyurea Capsules Cross-linked with Chitosan ENCAPSYS, LLC (US) 2021-08-19 US disclosed
WO-2021163599-A1 ARTICLES OF MANUFACTURE WITH POLYUREA CAPSULES CROSS-LINKED WITH CHITOSAN ENCAPSYS, LLC (US) 2021-08-19 WO disclosed
US-10455893-B2 Hydrogel with mesh for soil deflection NIKE, INC. (US) 2019-10-29 US disclosed
US-20170251751-A1 HYDROGEL TIE LAYER NIKE, INC. (US) 2017-09-07 US disclosed
US-20170251752-A1 HYDROGEL WITH MESH FOR SOIL DEFLECTION NIKE, INC. (US) 2017-09-07 US disclosed
US-9534072-B2 Polyisocyanate-based adhesive HUNTSMAN INTERNATIONAL LLC (US) 2017-01-03 US disclosed
US-20150247074-A1 Method for Producing a Two-Component Polyurethane Composition Comprising One or More Additives Soluble in Polar Solvents NOLAX AG (CH) 2015-09-03 US disclosed
WO-2013000910-A1 COMPOSITE FOAM FOR WOUND DRESSINGS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-03 WO disclosed
US-20100136346-A1 POLYISOCYANATE-BASED ADHESIVE HUNTSMAN INTERNATIONA LLC (TX) 2010-06-03 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 (1 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-20240147990-A1 Delivery Particles Based On Amine-Thiol-Ene Conjugates and Derivatives ACR, MMAB, UBE3C ALDH1A1 97/4885CYP3A4 1114/4885

“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.