SCHEMBL441816

SCHEMBL441816

Cc1cc(C)c(N=C=O)c(C)c1N=C=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
TRPA1 O75762 1/20 0.42
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL14493733 0.91 CYP3A4 (0.38) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL16707385 0.91 CYP3A4 (0.40) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL4306324 0.87 CYP3A4 (0.43) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL3685073 0.87 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL1869910 0.86 CYP3A4 (0.40) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL5427471 0.85 CYP3A4 (0.43) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL23213549 0.85 GABRA1 (0.38) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL29796161 0.85 GABRA1 (0.38) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL3837709 0.85 CYP3A4 (0.36) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL28150572 0.83 GABRA1 (0.50) CYP3A4TRPA1GABRA1GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12624315-B2 Consumer products comprising delivery particles with high core:wall ratios THE PROCTER & GAMBLE COMPANY (US) 2026-05-12 US claimed
CN-119735780-A Polyurethane skin material and preparation method thereof 万华化学(北京)有限公司 2025-04-01 CN claimed
CN-119591825-A Polyurethane elastic foaming material and application 万华化学(北京)有限公司 2025-03-11 CN claimed
US-12121864-B2 Flexibly adaptable membrane cartridges for the separation of fluids EVONIK OPERATIONS GMBH (DE) 2024-10-22 US claimed
US-20240206461-A1 DELIVERY PARTICLES WITH HIGH CORE:WALL RATIOS ENCAPSYS, LLC (US) 2024-06-27 US claimed
EP-4370644-A1 CONSUMER PRODUCTS COMPRISING DELIVERY PARTICLES WITH HIGH CORE:WALL RATIOS The Procter & Gamble Company (US) 2024-05-22 EP claimed
EP-4369931-A2 DELIVERY PARTICLES WITH HIGH CORE:WALL RATIOS Encapsys, LLC (US) 2024-05-22 EP claimed
EP-4355472-A1 DELIVERY PARTICLES WITH HIGH CORE:WALL RATIOS Encapsys, LLC (US) 2024-04-24 EP claimed
EP-4355848-A1 CONSUMER PRODUCTS COMPRISING DELIVERY PARTICLES WITH HIGH CORE:WALL RATIOS The Procter & Gamble Company (US) 2024-04-24 EP claimed
US-20240122176-A1 DELIVERY PARTICLES WITH HIGH CORE:WALL RATIOS ENCAPSYS, LLC (US) 2024-04-18 US claimed
US-20050123614-A1 Microparticles BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, THE 2005-06-09 US claimed
JP-3639534-B2 2005-04-20 JP claimed
EP-1343837-A1 FLUOROELASTOMER FILMS PREPARED BY PEROXIDE CURING A WATER-BORNE FLUOROELASTOMER COATING Lauren International, Inc. (US) 2003-09-17 EP claimed
JP-2003513815-A 2003-04-15 JP claimed
US-20020169233-A1 In situ microencapsulated adhesive IPS ADHESIVES LLC 2002-11-14 US claimed
US-20020111417-A1 Fluoroelastomer films prepared by peroxide curing a water-borne fluoroelastomer coating LAUREN INTERNATIONAL, INC. 2002-08-15 US claimed
WO-2002048251-A1 FLUOROELASTOMER FILMS PREPARED BY PEROXIDE CURING A WATER-BORNE FLUOROELASTOMER COATING LAUREN INTERNATIONAL, INC. (US) 2002-06-20 WO claimed
US-6180040-B1 BLEND OF RESILIENCE POLYMER, FREE RADICAL INITIATOR AND CROSSLINKING AGENT ACUSHNET COMPANY 2001-01-30 US claimed
WO-2000012281-A1 METHOD OF FORMING A GOLF BALL CORE ACUSHNET COMPANY (US) 2000-03-09 WO claimed
WO-1997023524-A1 THERMOSETTING ACRYLIC MATERIALS OF HIGH GLASS TRANSITION TEMPERATURE ALLIEDSIGNAL INC. (US) 1997-07-03 WO 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 (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-20240206461-A1 DELIVERY PARTICLES WITH HIGH CORE:WALL RATIOS CETP, CHMP4B, HDLBP CYP3A4 3557/4885TRPA1 4148/4885GABRA1 4726/4885
US-12624315-B2 Consumer products comprising delivery particles with high core:wall ratios PAM, ACR, MATR3 CYP3A4 1749/4885TRPA1 487/4885GABRA1 3754/4885

“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.