SCHEMBL460071

SCHEMBL460071

CC(C)(C)c1cc(CN=C=O)cc(CN=C=O)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
HTR1D P28221 2/20 0.34
HMGCR P04035 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C19 P33261 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32
MIF P14174 1/20 0.32
HTR1B P28222 1/20 0.32
BCHE P06276 1/20 0.30
ACHE P22303 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
SCHEMBL8816811 0.96 GABRA1 (0.37) POLBHTR1DHMGCRALDH1A1CYP2C19
SCHEMBL199862 0.82 CYP3A4 (0.32) ALDH1A1MIF
SCHEMBL2906765 0.82 MIF (0.49) CYP2C19RXRARXRBMIFBCHE
SCHEMBL2004568 0.80 TSHR (0.43) BCHEACHE
SCHEMBL459297 0.79 PGK1 (0.40)
SCHEMBL11162063 0.77 RXRA (0.33) ALDH1A1GABRA1GABRB2RXRARXRB
SCHEMBL27545979 0.77 RXRA (0.33) ALDH1A1GABRA1GABRB2RXRARXRB
SCHEMBL29129683 0.76 MIF (0.46) RXRARXRBRXRGMIF
SCHEMBL4194073 0.76 ALDH1A1 (0.53) POLBHMGCRALDH1A1CYP2C19
SCHEMBL27705400 0.74 PGK1 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116533420-A Preparation method of near infrared barrier polyurethane lens 浙江伟星光学股份有限公司 2023-08-04 CN claimed
EP-4731688-A1 METHOD FOR THE PRODUCTION OF A HYDROXYL-GROUP TERMINATED OXAZOLIDINONE COMPOSITION Covestro Deutschland AG (DE) 2026-04-29 EP disclosed
US-20260071091-A1 SELF-HEALING TRANSPARENT COATING COMPOSITION USING SUNLIGHT AND APPLICATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2026-03-12 US disclosed
US-12559586-B2 Compositions containing uretdione groups crosslinking at low temperatures COVESTRO DEUTSCHLAND AG (DE) 2026-02-24 US disclosed
EP-4688893-A1 EPOXY-GROUP TERMINATED AND ISOCYANURATE-GROUP CONTAINING POLYOXAZOLIDINONES AND THEIR USE IN COATING COMPOSITIONS Covestro Deutschland AG (DE) 2026-02-11 EP disclosed
WO-2025224257-A1 SINGLE-COMPONENT COATING MATERIAL FOR FOOD CONTAINERS COVESTRO DEUTSCHLAND AG (DE) 2025-10-30 WO disclosed
WO-2025224211-A1 SINGLE-COMPONENT SYSTEM FOR COATINGS COVESTRO DEUTSCHLAND AG (DE) 2025-10-30 WO disclosed
EP-4640732-A1 ONE-COMPONENT SYSTEM FOR COATINGS Covestro Deutschland AG (DE) 2025-10-29 EP disclosed
EP-4640731-A1 ONE-COMPONENT COATING COMPOSITION FOR FOOD CONTAINERS Covestro Deutschland AG (DE) 2025-10-29 EP disclosed
EP-4357382-B1 IONICALLY MODIFIED POLYISOCYANATE MIXTURE COVESTRO DEUTSCHLAND AG (DE) 2025-07-23 EP disclosed
WO-2018019904-A1 POLYURETHANE DISPERSIONS OF LOW HARDNESS COVESTRO DEUTSCHLAND AG (DE) 2018-02-01 WO disclosed
US-9458318-B2 Polyisocyanate mixtures COVESTRO DEUTSCHLAND AG (DE) 2016-10-04 US disclosed
EP-2596042-B1 POLYISOCYANATE MIXTURES BAYER IP GMBH (DE) 2015-05-13 EP disclosed
EP-2596041-B1 POLYURETHANE HAVING HIGH LIGHT REFRACTION BAYER IP GMBH (DE) 2014-08-20 EP disclosed
EP-2596040-B1 POLYURETHANE HAVING LOW VOLUME SHRINKAGE BAYER IP GMBH (DE) 2014-06-11 EP disclosed
US-20130158145-A1 POLYURETHANE HAVING HIGH LIGHT REFRACTION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
US-20130158146-A1 POLYISOCYANATE MIXTURES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
EP-2596042-A1 POLYISOCYANATE MIXTURES Bayer Intellectual Property GmbH (DE) 2013-05-29 EP disclosed
US-20130116357-A1 POLYURETHANE HAVING LOW VOLUME SHRINKAGE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-09 US disclosed
WO-2012010523-A1 POLYISOCYANATE MIXTURES BAYER MATERIALSCIENCE AG (DE) 2012-01-26 WO 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-12559586-B2 Compositions containing uretdione groups crosslinking at low temperatures URB2, UQCRB, UQCRC2 POLB 2146/4885HTR1D 1744/4885HMGCR 1374/4885
US-20260071091-A1 SELF-HEALING TRANSPARENT COATING COMPOSITION USING SUNLIGHT AND APPLICATION THEREOF PCNA, CUTA, COL1A1 POLB 1029/4885HTR1D 1959/4885HMGCR 1207/4885

“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.