SCHEMBL113918

SCHEMBL113918

CCC(C)(CN=NCC(C)C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
GABRR1 P24046 2/20 0.31
CYP1A2 P05177 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
SCHEMBL539187 0.83 TSHR (0.44) CYP2D6TSHRCYP2C19HIF1ACYP1A2
SCHEMBL10929506 0.83 TSHR (0.44) CYP2D6TSHRCYP2C19HIF1ACYP1A2
SCHEMBL9717310 0.80 ACACB (0.35) GABRR1CYP1A2
SCHEMBL541691 0.77 GABRR1 (0.46) GABRR1CYP1A2
SCHEMBL5286263 0.76 CYP2D6 (0.38) CYP2D6TSHRCYP2C19HIF1A
SCHEMBL11417167 0.76 ACE2 (0.30)
SCHEMBL8140497 0.74 CYP2D6 (0.37) CYP2D6TSHRCYP2C19HIF1A
SCHEMBL8259112 0.74 TSHR (0.39) CYP2D6TSHRCYP2C19HIF1AGABRR1
SCHEMBL29054985 0.74 CYP2D6 (0.39) CYP2D6TSHRCYP2C19HIF1AGABRR1
Nitrous Acid SCHEMBL4311801 0.72 GABRR1 (0.42) GABRR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118010795-A Method for determining specific enthalpy of high-viscosity system and monitoring polymerization heat hazard of methyl methacrylate on line 国科广化精细化工孵化器(南雄)有限公司 2024-05-10 CN claimed
EP-3176225-B1 FUNCTIONAL MATERIAL, PREPARATION METHOD THEREFOR, ORGANIC LIGHT-EMITTING DIODE DISPLAY PANEL BOE TECHNOLOGY GROUP CO LTD (CN) 2020-02-19 EP claimed
US-10544353-B2 Surfactant that changes the wettability of tight sandstone and its preparation method and application PETROCHINA COMPANY LTD. (CN) 2020-01-28 US claimed
EP-3137510-B1 PROCESS FOR MAKING ACRYLIC POWDER COATING RESIN SYSTEMS AKZO NOBEL COATINGS INT BV (NL) 2018-06-06 EP claimed
EP-3137510-A1 PROCESS FOR MAKING ACRYLIC POWDER COATING RESIN SYSTEMS Akzo Nobel Coatings International B.V. (NL) 2017-03-08 EP claimed
US-20170044377-A1 Process for Making Acrylic Powder Coating Resin Systems AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2017-02-16 US claimed
WO-2015165860-A1 PROCESS FOR MAKING ACRYLIC POWDER COATING RESIN SYSTEMS AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2015-11-05 WO claimed
US-20120164452-A1 Suspension Homopolymerization of an Isocyanurates JORDI LABS, LLC (US) 2012-06-28 US claimed
US-20090039018-A1 SUSPENSION HOMOPOLYMERIZATION OF AN ISOCYANURATES JORDI LABS, LLC 2009-02-12 US claimed
WO-2009020649-A1 SUSPENSION HOMOPOLYMERIZATION OF AN ISOCYANURATE JORDI FLP (US) 2009-02-12 WO claimed
EP-0737696-B1 Process for preparing styrene-butadiene rubber GOODYEAR TIRE & RUBBER (US) 1999-08-18 EP claimed
US-12595338-B2 Process for preparing a hydroxy group functionalized thioether BASF SE (DE) 2026-04-07 US disclosed
EP-3718551-B1 PROTON-BINDING POLYMERS FOR ORAL ADMINISTRATION RENOSIS INC (US) 2026-02-04 EP disclosed
EP-3812761-B1 PROTON-BINDING POLYMERS FOR ORAL ADMINISTRATION RENOSIS INC (US) 2025-12-24 EP disclosed
EP-4053179-B1 CROSSLINKED POLY(ALLYLAMINE) POLYMER PHARMACEUTICAL COMPOSITIONS RENOSIS INC (US) 2025-08-27 EP disclosed
US-4039331-A Carrier bead coating compositions XEROX CORPORATION (US) 1977-08-02 US disclosed
US-4035520-A Imaging systems XEROX CORPORATION (US) 1977-07-12 US disclosed
US-4029702-A Oil-soluble bicarbamamide compounds ROHM AND HAAS COMPANY (US) 1977-06-14 US disclosed
US-4002801-A POLYVINYL CHLORIDE CORE THE B. F. GOODRICH COMPANY (US) 1977-01-11 US disclosed
US-3976808-A DEVELOPMENT, ELECTROSTATIC LATENT IMAGE XEROX CORPORATION (US) 1976-08-24 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-12595338-B2 Process for preparing a hydroxy group functionalized thioether SCO2, SULT1E1, CYP2F1 CYP2D6 187/4885TSHR 791/4885CYP2C19 38/4885

“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.