SCHEMBL2450643

SCHEMBL2450643

CCC12CC3CC(C1)CC(CC)(C3)C2

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.71
GRIN3B O60391 4/20 0.71
GRIN1 Q05586 4/20 0.71
GRIN2A Q12879 4/20 0.71
GRIN2B Q13224 4/20 0.71
GRIN2C Q14957 4/20 0.71
GRIN3A Q8TCU5 4/20 0.71
PKM P14618 1/20 0.50
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.40

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
SCHEMBL11702314 0.89 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14696641 0.89 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1938937 0.85 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25382017 0.85 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19628848 0.85 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL292537 0.84 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6902613 0.84 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24105950 0.84 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10413669 0.84 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11252025 0.84 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013077-B2 Polymerizing a cage-type silsesquioxane compound having unsaturated substituents with a heat resistant unsaturated siloxane or silazane, or an acetylenic compound; curing on a substrate; uniform thickness, excellent dielectric constant and tensile strength FUJIFILM CORPORATION (JP) 2011-09-06 US claimed
CN-116355646-B Method for synthesizing high-energy-density heat-absorbing aviation fuel by one-step hydrogenation conversion of polycyclic aromatic hydrocarbon 天津大学 2024-05-28 CN disclosed
CN-116355646-A Method for synthesizing high-energy-density heat-absorbing aviation fuel by one-step hydrogenation conversion of polycyclic aromatic hydrocarbon 天津大学 2023-06-30 CN disclosed
WO-2023073222-A1 INHIBITORS OF VIRAL HELICASES BINDING TO A NOVEL ALLOSTERIC BINDING SITE EISBACH BIO GMBH (DE) 2023-05-04 WO disclosed
EP-2331495-B1 PROCESS FOR MANUFACTURING ADAMANTANE DERIVATIVES WITH HIGH YIELD MERZ PHARMA GMBH & CO KGAA (DE) 2016-01-27 EP disclosed
US-8796491-B2 Process for manufacturing adamantane derivatives with high yield MERZ PHARMA GMBH & CO. KGAA (DE) 2014-08-05 US disclosed
US-20110263900-A1 PROCESS FOR MANUFACTURING ADAMANTANE DERVATIVES WITH HIGH YIELD MERZ PHARMA GMBH & CO. KGAA (DE) 2011-10-27 US disclosed
US-8013077-B2 Polymerizing a cage-type silsesquioxane compound having unsaturated substituents with a heat resistant unsaturated siloxane or silazane, or an acetylenic compound; curing on a substrate; uniform thickness, excellent dielectric constant and tensile strength FUJIFILM CORPORATION (JP) 2011-09-06 US disclosed
US-20080213492-A1 INSULATING FILM FORMING COMPOSITION AND PRODUCTION METHOD OF INSULATING FILM FUJIFILM CORPORATION (JP) 2008-09-04 US disclosed
US-4849565-A 1,3-diethynyladamantane and methods of polymerization thereof BAUM KURT (US) 1989-07-18 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-20110263900-A1 PROCESS FOR MANUFACTURING ADAMANTANE DERVATIVES WITH HIGH YIELD BACE1, BACE2, APP GRIN2D 1299/4885GRIN3B 1154/4885GRIN1 958/4885

“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.